3-(hydroxymethyl)benzenesulfonamide

C7H9NO3S — CID 23133799

IUPAC3-(hydroxymethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CO)c1
InChIInChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4,9H,5H2,(H2,8,10,11)
InChIKeyVKZQCTHCVNLLCL-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.17
Rot. Bonds2

About 3-(hydroxymethyl)benzenesulfonamide

3-(hydroxymethyl)benzenesulfonamide (PubChem CID 23133799) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)benzenesulfonamide
PubChem CID23133799
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name3-(hydroxymethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CO)c1
InChIInChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4,9H,5H2,(H2,8,10,11)
InChIKeyVKZQCTHCVNLLCL-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-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 57313215
benzene-1,3-disulfonamide
CID 3090044
3-(2-aminopropyl)benzenesulfonamide
CID 72637077
3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide
CID 64592159
3-amino-4-[[3-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231809
[3-(tert-butylsulfonimidoyl)phenyl]methanol
CID 177053209
2-hydroxyethyl N-[(3-sulfamoylphenyl)methyl]carbamate
CID 79349048
4-hydroxy-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 79192761
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-[3-(hydroxymethyl)phenyl]sulfonylbenzoic acid
CID 154157904
3-[[(2,3-dihydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 61319103
3-[3-(hydroxymethyl)phenyl]sulfonylbenzonitrile
CID 68571468

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 3-(hydroxymethyl)benzenesulfonamide (CID 23133799) is 3-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 3-(hydroxymethyl)benzenesulfonamide is NS(=O)(=O)c1cccc(CO)c1.
What is the InChIKey of 3-(hydroxymethyl)benzenesulfonamide?
The InChIKey is VKZQCTHCVNLLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4,9H,5H2,(H2,8,10,11).
What are the key properties of 3-(hydroxymethyl)benzenesulfonamide?
3-(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 3-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 23133799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).