N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide

C19H15N3O2S — CID 112989986

IUPACN-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
SMILESN#Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C19H15N3O2S/c20-14-15-5-4-6-18(13-15)21-16-9-11-17(12-10-16)22-25(23,24)19-7-2-1-3-8-19/h1-13,21-22H
InChIKeyWCPWYKFCFPWHSU-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.10
Rot. Bonds5

About N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide

N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide (PubChem CID 112989986) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
PubChem CID112989986
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
SMILESN#Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C19H15N3O2S/c20-14-15-5-4-6-18(13-15)21-16-9-11-17(12-10-16)22-25(23,24)19-7-2-1-3-8-19/h1-13,21-22H
InChIKeyWCPWYKFCFPWHSU-UHFFFAOYSA-N
XLogP4.10
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
CID 112989988
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide
CID 112990005
N-[4-(3-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989997
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
CID 112990004
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
N-(3-prop-1-ynylphenyl)benzenesulfonamide
CID 155934453
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
CID 2083431
N-(3,4-dicyanophenyl)benzenesulfonamide
CID 113220864

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide (CID 112989986) is N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide is N#Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide?
The InChIKey is WCPWYKFCFPWHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c20-14-15-5-4-6-18(13-15)21-16-9-11-17(12-10-16)22-25(23,24)19-7-2-1-3-8-19/h1-13,21-22H.
What are the key properties of N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide?
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112989986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).