4-[3-(hydroxymethyl)phenyl]benzenesulfonamide

C13H13NO3S — CID 57313215

IUPAC4-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cccc(CO)c2)cc1
InChIInChI=1S/C13H13NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-8,15H,9H2,(H2,14,16,17)
InChIKeyRPGGXNWCFRDBKW-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.49
Rot. Bonds3

About 4-[3-(hydroxymethyl)phenyl]benzenesulfonamide

4-[3-(hydroxymethyl)phenyl]benzenesulfonamide (PubChem CID 57313215) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)phenyl]benzenesulfonamide
PubChem CID57313215
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name4-[3-(hydroxymethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cccc(CO)c2)cc1
InChIInChI=1S/C13H13NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-8,15H,9H2,(H2,14,16,17)
InChIKeyRPGGXNWCFRDBKW-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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Related Compounds

3-(hydroxymethyl)benzenesulfonamide
CID 23133799
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
3-amino-4-[[3-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231809
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
1-[3-[3-(hydroxymethyl)phenyl]-N-sulfinoanilino]-2-sulfamoylbenzene
CID 68875333
(1R)-2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)phenyl]phenyl]ethanol
CID 59597035
[3-(3,4,5-trifluorophenyl)phenyl]methanol
CID 172650671
3-[4-(trifluoromethyl)phenyl]benzoic acid;[3-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 162182546
5-[3-(hydroxymethyl)phenyl]-2,3-dihydroinden-1-one
CID 68869011
[3-[3-(2-aminoethylamino)phenyl]phenyl]methanol
CID 71173377
4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 122194782
[3-(1,3-benzodioxol-5-yl)phenyl]methanol
CID 118042431

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[3-(hydroxymethyl)phenyl]benzenesulfonamide (CID 57313215) is 4-[3-(hydroxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(hydroxymethyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cccc(CO)c2)cc1.
What is the InChIKey of 4-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
The InChIKey is RPGGXNWCFRDBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-8,15H,9H2,(H2,14,16,17).
What are the key properties of 4-[3-(hydroxymethyl)phenyl]benzenesulfonamide?
4-[3-(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 4-[3-(hydroxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 57313215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).