N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

C13H13NO3S — CID 807980

IUPACN-[2-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1ccccc1
InChIInChI=1S/C13H13NO3S/c15-10-11-6-4-5-9-13(11)14-18(16,17)12-7-2-1-3-8-12/h1-9,14-15H,10H2
InChIKeyPJAREHURDGDTSL-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.98
Rot. Bonds4

About N-[2-(hydroxymethyl)phenyl]benzenesulfonamide

N-[2-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 807980) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID807980
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC NameN-[2-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1CO)c1ccccc1
InChIInChI=1S/C13H13NO3S/c15-10-11-6-4-5-9-13(11)14-18(16,17)12-7-2-1-3-8-12/h1-9,14-15H,10H2
InChIKeyPJAREHURDGDTSL-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.98
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
N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 4587533
2-(hydroxymethyl)-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 76325452
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-(2-(Hydroxymethyl)phenyl)-4-methylbenzenesulfonamide
CID 4549294
4-tert-butyl-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 1232489
N-[4-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 59047824
Sulfanilamide, N(sup 1),N(sup 1)-dimethyl-3-(alpha-hydroxybenzyl)-
CID 214459

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]benzenesulfonamide (CID 807980) is N-[2-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1CO)c1ccccc1.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is PJAREHURDGDTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c15-10-11-6-4-5-9-13(11)14-18(16,17)12-7-2-1-3-8-12/h1-9,14-15H,10H2.
What are the key properties of N-[2-(hydroxymethyl)phenyl]benzenesulfonamide?
N-[2-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.98, 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]benzenesulfonamide is sourced from PubChem (CID 807980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).