5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C14H13N3O2S — CID 103739261

IUPAC5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2cc(C#N)ccc2C)c1
InChIInChI=1S/C14H13N3O2S/c1-10-5-13(9-16-8-10)17-20(18,19)14-6-12(7-15)4-3-11(14)2/h3-6,8-9,17H,1-2H3
InChIKeyRLQYXFICWURVIG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.37
Rot. Bonds3

About 5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide

5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 103739261) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID103739261
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2cc(C#N)ccc2C)c1
InChIInChI=1S/C14H13N3O2S/c1-10-5-13(9-16-8-10)17-20(18,19)14-6-12(7-15)4-3-11(14)2/h3-6,8-9,17H,1-2H3
InChIKeyRLQYXFICWURVIG-UHFFFAOYSA-N
XLogP2.37
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106087992
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584612
5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide
CID 106912855
5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide
CID 115749656
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912630
3-[(5-cyano-2-methylphenyl)sulfonylamino]benzoic acid
CID 167981446
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302942

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 103739261) is 5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide is Cc1cncc(NS(=O)(=O)c2cc(C#N)ccc2C)c1.
What is the InChIKey of 5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is RLQYXFICWURVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-5-13(9-16-8-10)17-20(18,19)14-6-12(7-15)4-3-11(14)2/h3-6,8-9,17H,1-2H3.
What are the key properties of 5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103739261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).