4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide

C15H14N2O3S — CID 106920475

IUPAC4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2CO)ccc1C#N
InChIInChI=1S/C15H14N2O3S/c1-11-8-14(7-6-12(11)9-16)21(19,20)17-15-5-3-2-4-13(15)10-18/h2-8,17-18H,10H2,1H3
InChIKeyKJUTULYBMHDRCD-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.16
Rot. Bonds4

About 4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide

4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 106920475) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
PubChem CID106920475
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2CO)ccc1C#N
InChIInChI=1S/C15H14N2O3S/c1-11-8-14(7-6-12(11)9-16)21(19,20)17-15-5-3-2-4-13(15)10-18/h2-8,17-18H,10H2,1H3
InChIKeyKJUTULYBMHDRCD-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

4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 106831770
4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide
CID 106831820
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
CID 43218183
4-cyano-N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919854
N-benzyl-4-cyano-3-methylbenzenesulfonamide
CID 106832859
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65030743
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 107649995
4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide
CID 106920464

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide (CID 106920475) is 4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2CO)ccc1C#N.
What is the InChIKey of 4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is KJUTULYBMHDRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11-8-14(7-6-12(11)9-16)21(19,20)17-15-5-3-2-4-13(15)10-18/h2-8,17-18H,10H2,1H3.
What are the key properties of 4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide?
4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide 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)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 106920475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).