N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide

C13H11ClN4O2S — CID 64917903

IUPACN-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H11ClN4O2S/c1-16-11-4-5-17-8-13(11)21(19,20)18-12-6-10(14)3-2-9(12)7-15/h2-6,8,18H,1H3,(H,16,17)
InChIKeyYPVQJPJMAFFPKF-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.45
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide

N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide (PubChem CID 64917903) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
PubChem CID64917903
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC NameN-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ccncc1S(=O)(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H11ClN4O2S/c1-16-11-4-5-17-8-13(11)21(19,20)18-12-6-10(14)3-2-9(12)7-15/h2-6,8,18H,1H3,(H,16,17)
InChIKeyYPVQJPJMAFFPKF-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

N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107810161
4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781
N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
CID 104625509
2-amino-N-(5-chloro-2-cyanophenyl)pyridine-4-sulfonamide
CID 64920454
N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107630794
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683
5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 61051415
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
N-[4-[(5-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 154297068
2-amino-N-(5-chloro-2-cyanophenyl)-6-fluorobenzenesulfonamide
CID 64914782
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide (CID 64917903) is N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide is CNc1ccncc1S(=O)(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide?
The InChIKey is YPVQJPJMAFFPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c1-16-11-4-5-17-8-13(11)21(19,20)18-12-6-10(14)3-2-9(12)7-15/h2-6,8,18H,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide?
N-(5-chloro-2-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-(5-chloro-2-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64917903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).