3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid

C14H13NO5S — CID 43218183

IUPAC3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2CO)c1
InChIInChI=1S/C14H13NO5S/c16-9-11-4-1-2-7-13(11)15-21(19,20)12-6-3-5-10(8-12)14(17)18/h1-8,15-16H,9H2,(H,17,18)
InChIKeyXCGKLFCNEPNTFF-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.68
Rot. Bonds5

About 3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid

3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid (PubChem CID 43218183) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
PubChem CID43218183
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2CO)c1
InChIInChI=1S/C14H13NO5S/c16-9-11-4-1-2-7-13(11)15-21(19,20)12-6-3-5-10(8-12)14(17)18/h1-8,15-16H,9H2,(H,17,18)
InChIKeyXCGKLFCNEPNTFF-UHFFFAOYSA-N
XLogP1.68
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid
CID 62534954
3-(hydroxysulfamoyl)benzoic acid
CID 10727486
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
4-bromo-3-fluoro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 107649995
4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 106920475
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665
3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid
CID 68688402
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63672038
2,6-dichloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide
CID 53352077

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid (CID 43218183) is 3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2CO)c1.
What is the InChIKey of 3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is XCGKLFCNEPNTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c16-9-11-4-1-2-7-13(11)15-21(19,20)12-6-3-5-10(8-12)14(17)18/h1-8,15-16H,9H2,(H,17,18).
What are the key properties of 3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid?
3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 307.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 43218183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).