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

C14H15NO3S — CID 4549294

IUPACN-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CO)cc1
InChIInChI=1S/C14H15NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16/h2-9,15-16H,10H2,1H3
InChIKeyVRPNCJQOSSNTOR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.29
Rot. Bonds4

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

N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 4549294) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID4549294
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC NameN-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CO)cc1
InChIInChI=1S/C14H15NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16/h2-9,15-16H,10H2,1H3
InChIKeyVRPNCJQOSSNTOR-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(2-Aminophenyl)-hydroxymethyl]phenyl]benzenesulfonamide
CID 156019990
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25097525
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25098088
N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 4587533
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-3-methylbenzenesulfonamide
CID 71717422
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097524
N-[3-(hydroxymethyl)phenyl]-4-phenylbenzenesulfonamide
CID 25098358
4-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25098361
N-[3-(hydroxymethyl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 25098362
N-(4-Hydroxyphenyl)-p-toluenesulfonamide
CID 70845
4-tert-butyl-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 1232489

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide (CID 4549294) is N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2CO)cc1.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is VRPNCJQOSSNTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16/h2-9,15-16H,10H2,1H3.
What are the key properties of N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide?
N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4549294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).