Benzenesulfonamide, 4-methyl-N-[4-(phenylamino)phenyl]-

CAS Number: 100-93-6
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Cc(cc1)ccc1S(Nc(cc1)ccc1Nc1ccccc1)(=O)=O
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
C19H18N2O2S
Molecular Weight
338.43
Drug-likeness
-12.848
CAS
100-93-6
InChI key
KEZPMZSDLBJCHH-UHFFFAOYSA-N
SMILES
Cc(cc1)ccc1S(Nc(cc1)ccc1Nc1ccccc1)(=O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 100-93-6
Molecule Name Benzenesulfonamide, 4-methyl-N-[4-(phenylamino)phenyl]-
Molecular Formula C19H18N2O2S
SMILES Cc(cc1)ccc1S(Nc(cc1)ccc1Nc1ccccc1)(=O)=O
InChI InChI=1S/C19H18N2O2S/c1-15-7-13-19(14-8-15)24(22,23)21-18-11-9-17(10-12-18)20-16-5-3-2-4-6-16/h2-14,20-21H,1H3
InChI Key KEZPMZSDLBJCHH-UHFFFAOYSA-N
CanonicalSyTyLFy e08014ddf8e76eac
TotalMolweight 338.43
Molecular Weight 338.43
MonoisotopicMass 338.108898
CLogP 3.833
CLogS -4.871
H Acceptors 4
H Donors 2
TotalSurfaceArea 256.54
Relative PSA 0.20075
PolarSurfaceArea 66.58
Drug-likeness -12.848
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant high
Shape Index 0.66667
Molecula Flexibility 0.54572
Molecular Complexity 0.69203
Fragments 1
Non HAtoms 24
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 4
Rings Closures 3
Small Rings 3
Aromatic Rings 3
Aromatic Atoms 18
Sp3Atoms 2
Symmetricatoms 7
Amides 1
Amines 1
Aromatic Amines 1

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