4-(hydroxymethyl)benzenesulfonamide

C7H9NO3S — CID 10081162

IUPAC4-(hydroxymethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)
InChIKeyUULCVOIRJRJPQS-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.17
Rot. Bonds2

About 4-(hydroxymethyl)benzenesulfonamide

4-(hydroxymethyl)benzenesulfonamide (PubChem CID 10081162) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)benzenesulfonamide
PubChem CID10081162
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name4-(hydroxymethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CO)cc1
InChIInChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)
InChIKeyUULCVOIRJRJPQS-UHFFFAOYSA-N
XLogP-0.17
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Oxidanylbutyl)benzenesulfonamide
CID 15707361
4-(2-Hydroxyethyl)benzenesulfonamide
CID 10375558
4-(3-Hydroxypropyl)benzene-1-sulfonamide
CID 15707360
N-Benzyloxy-4-methyl-benzenesulfonamide
CID 3847322
4-(5-Hydroxypentyl)benzene-1-sulfonamide
CID 15707362
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-octane-1-sulfonic acid 4-sulfamoyl-benzyl ester
CID 10652046
(4-Sulfanylphenyl)methanol
CID 4677905
4-(Hydroxymethyl)benzenesulfonate
CID 9543135
1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic acid 4-sulfamoyl-benzyl ester
CID 10528302
3-Fluoro-4-(3-hydroxypropyl)benzenesulfonamide
CID 15707369
(4-(Hydroxymethyl)phenyl)methanesulfonamide
CID 23106743
(1R)-1-(4-methanesulfonylphenyl)ethan-1-ol
CID 25324440

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 4-(hydroxymethyl)benzenesulfonamide (CID 10081162) is 4-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 4-(hydroxymethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)benzenesulfonamide?
The InChIKey is UULCVOIRJRJPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11).
What are the key properties of 4-(hydroxymethyl)benzenesulfonamide?
4-(hydroxymethyl)benzenesulfonamide has a molecular weight of 187.22 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 10081162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).