N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide

C13H11N3O2S — CID 62105428

IUPACN-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(C#N)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H11N3O2S/c1-10-4-5-11(8-14)7-13(10)16-19(17,18)12-3-2-6-15-9-12/h2-7,9,16H,1H3
InChIKeyOJSXPFMYZSGHLS-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.06
Rot. Bonds3

About N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide

N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide (PubChem CID 62105428) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
PubChem CID62105428
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(C#N)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H11N3O2S/c1-10-4-5-11(8-14)7-13(10)16-19(17,18)12-3-2-6-15-9-12/h2-7,9,16H,1H3
InChIKeyOJSXPFMYZSGHLS-UHFFFAOYSA-N
XLogP2.06
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 86819051
4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
CID 24709903
methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate
CID 25038996
N-[2-[1-(4-cyano-2-fluorophenyl)ethylamino]ethyl]pyridine-3-sulfonamide
CID 86814918
N-(4-amino-2-methylphenyl)pyridine-3-sulfonamide
CID 24696951
N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 3865818
3-amino-4-bromo-N-(5-cyano-2-methylphenyl)benzenesulfonamide
CID 115329217
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2-methylphenyl)urea
CID 22011348
3-[(3-cyanophenyl)sulfonylamino]-N,N-diethyl-4-methylbenzenesulfonamide
CID 4835973
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide
CID 61131422
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62103004

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide (CID 62105428) is N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide is Cc1ccc(C#N)cc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is OJSXPFMYZSGHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-10-4-5-11(8-14)7-13(10)16-19(17,18)12-3-2-6-15-9-12/h2-7,9,16H,1H3.
What are the key properties of N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide?
N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62105428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).