N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide

C13H12N4O2S — CID 106918913

IUPACN-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N)cn2)ccc1C#N
InChIInChI=1S/C13H12N4O2S/c1-9-6-12(4-2-10(9)7-14)20(18,19)17-13-5-3-11(15)8-16-13/h2-6,8H,15H2,1H3,(H,16,17)
InChIKeyDTDSEZHYIVSKSO-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.64
Rot. Bonds3

About N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide

N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide (PubChem CID 106918913) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
PubChem CID106918913
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N)cn2)ccc1C#N
InChIInChI=1S/C13H12N4O2S/c1-9-6-12(4-2-10(9)7-14)20(18,19)17-13-5-3-11(15)8-16-13/h2-6,8H,15H2,1H3,(H,16,17)
InChIKeyDTDSEZHYIVSKSO-UHFFFAOYSA-N
XLogP1.64
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 106919695
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753
4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106919709
N-(6-bromo-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106920444
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
N-(5-amino-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 43327268
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
N-(5-amino-2-pyridinyl)-5-cyanothiophene-2-sulfonamide
CID 106265124
4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide
CID 106920464
3-cyano-4-(2,3-difluoro-4-methylphenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009961
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide (CID 106918913) is N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N)cn2)ccc1C#N.
What is the InChIKey of N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide?
The InChIKey is DTDSEZHYIVSKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-9-6-12(4-2-10(9)7-14)20(18,19)17-13-5-3-11(15)8-16-13/h2-6,8H,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide?
N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide is sourced from PubChem (CID 106918913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).