N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide

C12H8ClN3O2S — CID 114051867

IUPACN-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cnccc2Cl)cc1
InChIInChI=1S/C12H8ClN3O2S/c13-11-5-6-15-8-12(11)16-19(17,18)10-3-1-9(7-14)2-4-10/h1-6,8,16H
InChIKeyQRKWZMLRRDJYDP-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.41
Rot. Bonds3

About N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide

N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide (PubChem CID 114051867) has the molecular formula C12H8ClN3O2S and a molecular weight of 293.74 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
PubChem CID114051867
Molecular FormulaC12H8ClN3O2S
Molecular Weight293.74 g/mol
Exact Mass293.00
IUPAC NameN-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cnccc2Cl)cc1
InChIInChI=1S/C12H8ClN3O2S/c13-11-5-6-15-8-12(11)16-19(17,18)10-3-1-9(7-14)2-4-10/h1-6,8,16H
InChIKeyQRKWZMLRRDJYDP-UHFFFAOYSA-N
XLogP2.41
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051868
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158
N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107810161
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide (CID 114051867) is N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cnccc2Cl)cc1.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide?
The InChIKey is QRKWZMLRRDJYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2S/c13-11-5-6-15-8-12(11)16-19(17,18)10-3-1-9(7-14)2-4-10/h1-6,8,16H.
What are the key properties of N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide?
N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide has a molecular weight of 293.74 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 114051867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).