N-(4-fluorophenyl)-4-[[(4-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide

Formula:C20H15N4O6FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-fluorophenyl)-4-[[(4-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide is a drug-like molecule.

MolNameN-(4-fluorophenyl)-4-[[(4-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
MolecularFormulaC20H15N4O6FS
Smiles[O-][N+](c(cc1)ccc1C(NNC(c(cc1)ccc1S(Nc(cc1)ccc1F)(=O)=O)=O)=O)=O
InChIInChI=1S/C20H15FN4O6S/c21-15-5-7-16(8-6-15)24-32(30,31)18-11-3-14(4-12-18)20(27)23-22-19(26)13-1-9-17(10-2-13)25(28)29/h1-12,24H,(H,22,26)(H,23,27)
InChIKHKAWJXZRWQMORN-UHFFFAOYSA-N
TotalMolweight458.425
Molweight458.425
MonoisotopicMass458.069634
CLogP1.0959
CLogS-5.417
H Acceptors10
H Donors3
TotalSurfaceArea321.26
Relative PSA0.37185
PolarSurfaceArea158.57
Druglikeness-9.1794
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.65625
Fragments1
Non HAtoms32
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms7
Amides1
AcidicOxygens1
StereoCon

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