4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide

C13H11N3O3S — CID 106920464

IUPAC4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncccc2O)ccc1C#N
InChIInChI=1S/C13H11N3O3S/c1-9-7-11(5-4-10(9)8-14)20(18,19)16-13-12(17)3-2-6-15-13/h2-7,17H,1H3,(H,15,16)
InChIKeyYDWRPOXAKCNXLH-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.77
Rot. Bonds3

About 4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide

4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide (PubChem CID 106920464) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide
PubChem CID106920464
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncccc2O)ccc1C#N
InChIInChI=1S/C13H11N3O3S/c1-9-7-11(5-4-10(9)8-14)20(18,19)16-13-12(17)3-2-6-15-13/h2-7,17H,1H3,(H,15,16)
InChIKeyYDWRPOXAKCNXLH-UHFFFAOYSA-N
XLogP1.77
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide
CID 106831820
6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide
CID 21022826
N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831840
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106919709
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30162680
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
4-cyano-N-(4-cyano-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 106919695
N-(6-bromo-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106920444
4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 106920475
N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106918913

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide (CID 106920464) is 4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ncccc2O)ccc1C#N.
What is the InChIKey of 4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide?
The InChIKey is YDWRPOXAKCNXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-9-7-11(5-4-10(9)8-14)20(18,19)16-13-12(17)3-2-6-15-13/h2-7,17H,1H3,(H,15,16).
What are the key properties of 4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide?
4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 106920464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).