3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid

C12H17NO6S — CID 62335009

IUPAC3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C12H17NO6S/c1-8(14)7-13(2)20(17,18)11-6-9(12(15)16)4-5-10(11)19-3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyXGQDKBVHTFQHCC-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.39
Rot. Bonds6

About 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid

3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid (PubChem CID 62335009) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid
PubChem CID62335009
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C12H17NO6S/c1-8(14)7-13(2)20(17,18)11-6-9(12(15)16)4-5-10(11)19-3/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyXGQDKBVHTFQHCC-UHFFFAOYSA-N
XLogP0.39
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43215464
3-methoxy-4-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102694750
3-amino-4-[2-hydroxypropyl(methyl)sulfamoyl]benzoic acid
CID 81471129
4-[butan-2-yl(methyl)sulfamoyl]-3-methoxybenzoic acid
CID 102694697
5-amino-N-(2-hydroxypropyl)-2-methoxy-N,4-dimethylbenzenesulfonamide
CID 79974560
bis(3,4-dimethoxybenzoic acid);propane-1,2-diol
CID 70546989
4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]-3-methoxybenzoic acid
CID 102695383
3-(1-hydroxypropan-2-ylsulfamoyl)-4-methoxybenzoic acid
CID 43499107
4-methoxy-3-(2-propan-2-yloxyethylsulfonyl)benzoic acid
CID 61485281
3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-4-methoxybenzoic acid
CID 107215557
3-(2-hydroxyethylsulfonyl)-4-methoxybenzoic acid
CID 43140684
3-but-3-en-2-ylsulfonyl-4-methoxybenzoic acid
CID 62383061

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid (CID 62335009) is 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CC(C)O.
What is the InChIKey of 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid?
The InChIKey is XGQDKBVHTFQHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-8(14)7-13(2)20(17,18)11-6-9(12(15)16)4-5-10(11)19-3/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid?
3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid has a molecular weight of 303.34 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid is sourced from PubChem (CID 62335009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).