4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid

C12H17NO4S — CID 43271840

IUPAC4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
SMILESCC(C)CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H17NO4S/c1-9(2)8-13(3)18(16,17)11-6-4-10(5-7-11)12(14)15/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyPWLNWWWHGYQEHP-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.66
Rot. Bonds5

About 4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid

4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid (PubChem CID 43271840) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
PubChem CID43271840
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
SMILESCC(C)CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H17NO4S/c1-9(2)8-13(3)18(16,17)11-6-4-10(5-7-11)12(14)15/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyPWLNWWWHGYQEHP-UHFFFAOYSA-N
XLogP1.66
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[methyl(2-methylpropyl)sulfamoyl]benzoic 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-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 43215458
2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271847
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
CID 60952032
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
CID 122030686
4-[4-[[benzenesulfonyl(2-methylpropyl)amino]methyl]phenyl]benzoic acid
CID 157022700
4-[cyclohexyl(2-hydroxypropyl)sulfamoyl]benzoic acid
CID 154782398

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid (CID 43271840) is 4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid is CC(C)CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid?
The InChIKey is PWLNWWWHGYQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-9(2)8-13(3)18(16,17)11-6-4-10(5-7-11)12(14)15/h4-7,9H,8H2,1-3H3,(H,14,15).
What are the key properties of 4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid?
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 43271840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).