4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide

C15H14N2O3S — CID 103930776

IUPAC4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)cccc1O
InChIInChI=1S/C15H14N2O3S/c1-10-4-3-5-13(18)15(10)17-21(19,20)14-7-6-12(9-16)8-11(14)2/h3-8,17-18H,1-2H3
InChIKeyAPGRSYOTYADSEA-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.68
Rot. Bonds3

About 4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide

4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 103930776) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID103930776
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)cccc1O
InChIInChI=1S/C15H14N2O3S/c1-10-4-3-5-13(18)15(10)17-21(19,20)14-7-6-12(9-16)8-11(14)2/h3-8,17-18H,1-2H3
InChIKeyAPGRSYOTYADSEA-UHFFFAOYSA-N
XLogP2.68
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
2-[(4-cyano-2-methylphenyl)sulfonylamino]-3-methylbenzoic acid
CID 71874462
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
4-cyano-N-(3-formylphenyl)-2-methylbenzenesulfonamide
CID 106998702
N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 154381211
N-(2-bromo-3-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103522055
N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
CID 118497699
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
4-cyano-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylbenzenesulfonamide
CID 167937246
3-[(4-cyano-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 106996494

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide (CID 103930776) is 4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)cccc1O.
What is the InChIKey of 4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is APGRSYOTYADSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-10-4-3-5-13(18)15(10)17-21(19,20)14-7-6-12(9-16)8-11(14)2/h3-8,17-18H,1-2H3.
What are the key properties of 4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide?
4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103930776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).