N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide

C13H11ClN4O2S — CID 107810161

IUPACN-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C13H11ClN4O2S/c1-16-12-4-5-17-8-13(12)21(19,20)18-11-3-2-9(7-15)6-10(11)14/h2-6,8,18H,1H3,(H,16,17)
InChIKeyUELNTORYGJAKMC-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.45
Rot. Bonds4

About N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide

N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide (PubChem CID 107810161) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
PubChem CID107810161
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC NameN-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C13H11ClN4O2S/c1-16-12-4-5-17-8-13(12)21(19,20)18-11-3-2-9(7-15)6-10(11)14/h2-6,8,18H,1H3,(H,16,17)
InChIKeyUELNTORYGJAKMC-UHFFFAOYSA-N
XLogP2.45
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683
N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64917903
N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107810157
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
CID 75523599
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide (CID 107810161) is N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide is CNc1ccncc1S(=O)(=O)Nc1ccc(C#N)cc1Cl.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide?
The InChIKey is UELNTORYGJAKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c1-16-12-4-5-17-8-13(12)21(19,20)18-11-3-2-9(7-15)6-10(11)14/h2-6,8,18H,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide?
N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide has a molecular weight of 322.78 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 107810161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).