4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide

C15H14N2O3S — CID 3870164

IUPAC4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(CO)c1
InChIInChI=1S/C15H14N2O3S/c1-11-2-7-15(13(8-11)10-18)17-21(19,20)14-5-3-12(9-16)4-6-14/h2-8,17-18H,10H2,1H3
InChIKeyRCSQPQZFRBFSSV-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.16
Rot. Bonds4

About 4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide

4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide (PubChem CID 3870164) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
PubChem CID3870164
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(CO)c1
InChIInChI=1S/C15H14N2O3S/c1-11-2-7-15(13(8-11)10-18)17-21(19,20)14-5-3-12(9-16)4-6-14/h2-8,17-18H,10H2,1H3
InChIKeyRCSQPQZFRBFSSV-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 74225912
5-[3-(hydroxymethyl)-4-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 59566184
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 106920475
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
CID 104757197
5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
CID 3856276
2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3828753
4-(cyanomethyl)-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 79185670
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide (CID 3870164) is 4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(CO)c1.
What is the InChIKey of 4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide?
The InChIKey is RCSQPQZFRBFSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11-2-7-15(13(8-11)10-18)17-21(19,20)14-5-3-12(9-16)4-6-14/h2-8,17-18H,10H2,1H3.
What are the key properties of 4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide?
4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 3870164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).