3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide

C18H13ClN4O2S — CID 113037344

IUPAC3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
SMILESN#Cc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C18H13ClN4O2S/c19-14-2-1-3-17(10-14)26(24,25)23-18-9-8-16(12-21-18)22-15-6-4-13(11-20)5-7-15/h1-10,12,22H,(H,21,23)
InChIKeyPLPWVXCUTTYTCY-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.15
Rot. Bonds5

About 3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide

3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113037344) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
PubChem CID113037344
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
SMILESN#Cc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C18H13ClN4O2S/c19-14-2-1-3-17(10-14)26(24,25)23-18-9-8-16(12-21-18)22-15-6-4-13(11-20)5-7-15/h1-10,12,22H,(H,21,23)
InChIKeyPLPWVXCUTTYTCY-UHFFFAOYSA-N
XLogP4.15
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113037337
N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide
CID 113037323
5-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113037335
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 62353939
N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide
CID 113036847
N-[6-(4-cyanoanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113022925
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide (CID 113037344) is 3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide is N#Cc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)nc2)cc1.
What is the InChIKey of 3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is PLPWVXCUTTYTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-14-2-1-3-17(10-14)26(24,25)23-18-9-8-16(12-21-18)22-15-6-4-13(11-20)5-7-15/h1-10,12,22H,(H,21,23).
What are the key properties of 3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide?
3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 384.85 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113037344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).