2-[4-(hydroxymethyl)phenyl]benzenesulfonamide

C13H13NO3S — CID 56604620

IUPAC2-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CO)cc1
InChIInChI=1S/C13H13NO3S/c14-18(16,17)13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-8,15H,9H2,(H2,14,16,17)
InChIKeyWGDLNZQTRPKSKN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.49
Rot. Bonds3

About 2-[4-(hydroxymethyl)phenyl]benzenesulfonamide

2-[4-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 56604620) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID56604620
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-[4-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CO)cc1
InChIInChI=1S/C13H13NO3S/c14-18(16,17)13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-8,15H,9H2,(H2,14,16,17)
InChIKeyWGDLNZQTRPKSKN-UHFFFAOYSA-N
XLogP1.49
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]benzenesulfonamide (CID 56604620) is 2-[4-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc(CO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is WGDLNZQTRPKSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c14-18(16,17)13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-8,15H,9H2,(H2,14,16,17).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]benzenesulfonamide?
2-[4-(hydroxymethyl)phenyl]benzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 56604620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).