N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide

C12H9ClN4O2S — CID 80704826

IUPACN-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccncc2N)c1
InChIInChI=1S/C12H9ClN4O2S/c13-9-2-1-8(6-14)5-12(9)20(18,19)17-11-3-4-16-7-10(11)15/h1-5,7H,15H2,(H,16,17)
InChIKeyJIXUCLGTDFWWFE-UHFFFAOYSA-N
MW308.75 g/mol
LogP1.99
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide

N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide (PubChem CID 80704826) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
PubChem CID80704826
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC NameN-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccncc2N)c1
InChIInChI=1S/C12H9ClN4O2S/c13-9-2-1-8(6-14)5-12(9)20(18,19)17-11-3-4-16-7-10(11)15/h1-5,7H,15H2,(H,16,17)
InChIKeyJIXUCLGTDFWWFE-UHFFFAOYSA-N
XLogP1.99
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
N-(3-amino-4-pyridinyl)-2-chlorobenzenesulfonamide
CID 55147770
2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide
CID 80704266
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683
N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107810161
N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63062265
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668
2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide
CID 81422590
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide (CID 80704826) is N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccncc2N)c1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide?
The InChIKey is JIXUCLGTDFWWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c13-9-2-1-8(6-14)5-12(9)20(18,19)17-11-3-4-16-7-10(11)15/h1-5,7H,15H2,(H,16,17).
What are the key properties of N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide?
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide has a molecular weight of 308.75 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide is sourced from PubChem (CID 80704826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).