4-(4-Bromo-2-fluorobenzene-1-sulfonyl)morpholine

Formula:C10H11NO3BrFS CAS:1000068-42-7 ChemrytIQ

PropertyValue
Casrn1000068-42-7
MolName4-(4-Bromo-2-fluorobenzene-1-sulfonyl)morpholine
MolecularFormulaC10H11NO3BrFS
SmilesO=S(c(ccc(Br)c1)c1F)(N1CCOCC1)=O
InChIInChI=1S/C10H11BrFNO3S/c11-8-1-2-10(9(12)7-8)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6H2
InChIKBQYQHCWRUSXGLN-UHFFFAOYSA-N
CanonicalSyTyLFyf4377f1b6148921
TotalMolweight324.169
Molweight324.169
MonoisotopicMass322.962703
CLogP1.5284
CLogS-1.97
H Acceptors4
TotalSurfaceArea188.66
Relative PSA0.22331
PolarSurfaceArea54.99
Druglikeness-2.2263
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.58824
Molecula Flexibility0.45532
Molecular Complexity0.70898
Fragments1
Non HAtoms17
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond1
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms6
Symmetricatoms3
Amides1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
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100-14-1highhighlowC7H6NO2Cl171.583-7.5061 ChemrytIQ
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1000303-67-2nonenonenoneC6H8N2O124.1432.717 ChemrytIQ
1000068-23-4nonelownoneC14H18NO5B291.11-44.603 ChemrytIQ
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866 ChemrytIQ
100020-34-6nonenonenoneC13H18S2238.418-0.23079 ChemrytIQ
1000018-40-5lowhighnoneC11H16N2O2S240.3261.4856 ChemrytIQ
100-94-7nonenonenoneCl.C16H20N226.342-1.9788 ChemrytIQ
10001-52-2highhighnoneC11H10N6O3S306.3056.7202 ChemrytIQ
100-87-8nonenonenoneC7H8O3S172.204-10.732 ChemrytIQ
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100-13-0nonenonelowC8H7NO2149.149-10.212 ChemrytIQ
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1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81 ChemrytIQ
100-52-7highhighhighC7H6O106.124-4.225 ChemrytIQ
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311 ChemrytIQ
1000018-26-7nonenonenoneC16H23NO3277.363-15.052 ChemrytIQ
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100-85-6nonenonenoneHO.C10H16N150.244-2.6575 ChemrytIQ
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074 ChemrytIQ
1000018-22-3nonenonenoneC16H22N3O4Br400.272-33.051 ChemrytIQ
100-17-4nonenonenoneC7H7NO3153.137-7.2945 ChemrytIQ
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994 ChemrytIQ
1000018-56-3nonenonenoneC7H4N3O2Br242.032-0.39052 ChemrytIQ
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1000018-07-4nonenonenoneC14H13N3O239.2771.9531 ChemrytIQ
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1000296-71-8nonenonehighC19H27NO8S3493.62-2.9952 ChemrytIQ
100-18-5nonenonenoneC12H18162.275-2.5088 ChemrytIQ
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100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436 ChemrytIQ
100-38-9nonenonehighC6H15NS133.2580.17671 ChemrytIQ
1000339-27-4nonenonenoneC14H8N3O3Br346.14-5.8142 ChemrytIQ
10-31-2001nonenonenoneC21H28NO6P421.428-10.542 ChemrytIQ
100-69-6nonenonenoneC7H7N105.14-4.4598 ChemrytIQ
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