2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide

C13H9Cl2N3O2S — CID 75523599

IUPAC2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
SMILESCc1nccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1Cl
InChIInChI=1S/C13H9Cl2N3O2S/c1-8-13(15)11(4-5-17-8)18-21(19,20)12-3-2-9(7-16)6-10(12)14/h2-6H,1H3,(H,17,18)
InChIKeyNRHCSVMZCWNQSY-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.37
Rot. Bonds3

About 2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide

2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide (PubChem CID 75523599) has the molecular formula C13H9Cl2N3O2S and a molecular weight of 342.21 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
PubChem CID75523599
Molecular FormulaC13H9Cl2N3O2S
Molecular Weight342.21 g/mol
Exact Mass340.98
IUPAC Name2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
SMILESCc1nccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1Cl
InChIInChI=1S/C13H9Cl2N3O2S/c1-8-13(15)11(4-5-17-8)18-21(19,20)12-3-2-9(7-16)6-10(12)14/h2-6H,1H3,(H,17,18)
InChIKeyNRHCSVMZCWNQSY-UHFFFAOYSA-N
XLogP3.37
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107810161
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103988582
2-chloro-4-cyano-N-(6-ethyl-2-methylpyrimidin-4-yl)benzenesulfonamide
CID 75522858
2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103988860
2-amino-4-cyano-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 64899554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide (CID 75523599) is 2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide is Cc1nccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide?
The InChIKey is NRHCSVMZCWNQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2S/c1-8-13(15)11(4-5-17-8)18-21(19,20)12-3-2-9(7-16)6-10(12)14/h2-6H,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide?
2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 75523599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).