5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide

C15H14N2O3S — CID 115753827

IUPAC5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1O
InChIInChI=1S/C15H14N2O3S/c1-11-6-7-12(9-16)8-15(11)21(19,20)17-10-13-4-2-3-5-14(13)18/h2-8,17-18H,10H2,1H3
InChIKeyXOGRAKZGAWDVFX-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.05
Rot. Bonds4

About 5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide

5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 115753827) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID115753827
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1O
InChIInChI=1S/C15H14N2O3S/c1-11-6-7-12(9-16)8-15(11)21(19,20)17-10-13-4-2-3-5-14(13)18/h2-8,17-18H,10H2,1H3
InChIKeyXOGRAKZGAWDVFX-UHFFFAOYSA-N
XLogP2.05
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
CID 79529225
5-cyano-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616340
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
CID 79529154
N-(4-aminobutyl)-5-cyano-2-methylbenzenesulfonamide;hydrochloride
CID 120583646
5-cyano-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbenzenesulfonamide
CID 103835529
(2S)-4-[(5-cyano-2-methylphenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934150
5-cyano-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106035216
5-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107848116
5-cyano-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302942
5-cyano-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 97071040
N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 61061992

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide (CID 115753827) is 5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1O.
What is the InChIKey of 5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is XOGRAKZGAWDVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11-6-7-12(9-16)8-15(11)21(19,20)17-10-13-4-2-3-5-14(13)18/h2-8,17-18H,10H2,1H3.
What are the key properties of 5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide?
5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(2-hydroxyphenyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 115753827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).