N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide

C18H13N3O2S — CID 66714189

IUPACN-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide
SMILESN#Cc1ccncc1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H13N3O2S/c19-12-15-10-11-20-13-18(15)14-6-8-16(9-7-14)21-24(22,23)17-4-2-1-3-5-17/h1-11,13,21H
InChIKeyHPYJXZQWMOHRMG-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.42
Rot. Bonds4

About N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide

N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide (PubChem CID 66714189) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide
PubChem CID66714189
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC NameN-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide
SMILESN#Cc1ccncc1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H13N3O2S/c19-12-15-10-11-20-13-18(15)14-6-8-16(9-7-14)21-24(22,23)17-4-2-1-3-5-17/h1-11,13,21H
InChIKeyHPYJXZQWMOHRMG-UHFFFAOYSA-N
XLogP3.42
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714521
N-[4-(4-methyl-3-pyridinyl)phenyl]pyridine-3-sulfonamide
CID 56652325
N-(3,4-dicyanophenyl)benzenesulfonamide
CID 113220864
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
CID 172686672
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
3-(4-chlorophenyl)pyridine-4-carbonitrile
CID 124706969
N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]benzenesulfonamide
CID 46943286
4-methoxy-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714466
N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide
CID 5329879
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714618

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide (CID 66714189) is N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide is N#Cc1ccncc1-c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide?
The InChIKey is HPYJXZQWMOHRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c19-12-15-10-11-20-13-18(15)14-6-8-16(9-7-14)21-24(22,23)17-4-2-1-3-5-17/h1-11,13,21H.
What are the key properties of N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide?
N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide has a molecular weight of 335.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-3-pyridinyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 66714189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).