4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid

C12H17NO6S — CID 106840483

IUPAC4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)NCCCCO
InChIInChI=1S/C12H17NO6S/c1-19-10-8-9(12(15)16)4-5-11(10)20(17,18)13-6-2-3-7-14/h4-5,8,13-14H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyDVXFSRPJUBLTBB-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.44
Rot. Bonds8

About 4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid

4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid (PubChem CID 106840483) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
PubChem CID106840483
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Name4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)NCCCCO
InChIInChI=1S/C12H17NO6S/c1-19-10-8-9(12(15)16)4-5-11(10)20(17,18)13-6-2-3-7-14/h4-5,8,13-14H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyDVXFSRPJUBLTBB-UHFFFAOYSA-N
XLogP0.44
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-hydroxybutylsulfamoyl)-3-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-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-3-methoxybenzoic acid
CID 102695239
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
3-(5-hydroxypentylsulfamoyl)-4-methylbenzoic acid
CID 107316564
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
4-(3-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 102695016
3-methoxy-4-(prop-2-ynylsulfamoyl)benzoic acid
CID 102694677
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
N-(5-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 107319404
3-methoxy-4-(2-prop-2-ynylsulfanylethylsulfamoyl)benzoic acid
CID 106426922
3-amino-4-(4-methoxybutylsulfamoyl)benzoic acid
CID 81470981
5-(4-hydroxybutylsulfamoyl)-2-methoxybenzoic acid
CID 106840452

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid?
The IUPAC name of 4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid (CID 106840483) is 4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid?
The canonical SMILES for 4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1S(=O)(=O)NCCCCO.
What is the InChIKey of 4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid?
The InChIKey is DVXFSRPJUBLTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-19-10-8-9(12(15)16)4-5-11(10)20(17,18)13-6-2-3-7-14/h4-5,8,13-14H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid?
4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid has a molecular weight of 303.34 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid is sourced from PubChem (CID 106840483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).