N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide

C13H12N4O2S — CID 115910806

IUPACN-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide
SMILESCc1cc(N)cnc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H12N4O2S/c1-9-5-11(15)8-16-13(9)17-20(18,19)12-4-2-3-10(6-12)7-14/h2-6,8H,15H2,1H3,(H,16,17)
InChIKeyQFLPBRKSKSFYHI-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.64
Rot. Bonds3

About N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide

N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide (PubChem CID 115910806) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide
PubChem CID115910806
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide
SMILESCc1cc(N)cnc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H12N4O2S/c1-9-5-11(15)8-16-13(9)17-20(18,19)12-4-2-3-10(6-12)7-14/h2-6,8H,15H2,1H3,(H,16,17)
InChIKeyQFLPBRKSKSFYHI-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

Sulfapyridine
CID 5336
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 16267445
N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2815858
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
4-(1-Pyridin-3-yl-4,5-dihydroimidazol-2-yl)benzenesulfonamide
CID 145949366
3-Pyridyl{[3-(trifluoromethyl)phenyl]sulfonyl}amine
CID 697901
4-tert-butyl-N-pyridin-2-ylbenzenesulfonamide
CID 726556
N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 87570781
N-[5-(6-amino-3-pyridinyl)-2-methyl-3-pyridinyl]benzenesulfonamide
CID 141461664
2-[4-(5-amino-6-cyanopyrazin-2-yl)-3-fluorophenyl]-N-tert-butylbenzenesulfonamide
CID 90313627

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide (CID 115910806) is N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide is Cc1cc(N)cnc1NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide?
The InChIKey is QFLPBRKSKSFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-9-5-11(15)8-16-13(9)17-20(18,19)12-4-2-3-10(6-12)7-14/h2-6,8H,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide?
N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide 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-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 115910806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).