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

C15H23NO4S — CID 622959

IUPAC4-[bis(2-methylpropyl)sulfamoyl]benzoic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H23NO4S/c1-11(2)9-16(10-12(3)4)21(19,20)14-7-5-13(6-8-14)15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeySBMWIDCANKNKIX-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.69
Rot. Bonds7

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

4-[bis(2-methylpropyl)sulfamoyl]benzoic acid (PubChem CID 622959) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[bis(2-methylpropyl)sulfamoyl]benzoic acid
PubChem CID622959
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-[bis(2-methylpropyl)sulfamoyl]benzoic acid
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H23NO4S/c1-11(2)9-16(10-12(3)4)21(19,20)14-7-5-13(6-8-14)15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeySBMWIDCANKNKIX-UHFFFAOYSA-N
XLogP2.69
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[bis(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

Probenecid
CID 4911
Halazone
CID 3552
Carzenide
CID 8739
4-((Diethylamino)sulfonyl)benzoic acid
CID 14604
4-(Pyrrolidine-1-sulfonyl)benzoic acid
CID 763651
3-[(4-Methylpiperazin-1-yl)sulfonyl]benzoic acid
CID 1081456
4-(1,3,3-Trimethyl-6-aza-bicyclo[3.2.1]octane-6-sulfonyl)-benzoic acid
CID 3705367
4-(Dimethylsulfamoyl)benzoic acid
CID 14572
Carboxytolbutamide
CID 159651
4-(Cyclopropylsulfamoyl)benzoic acid
CID 1134151
4-[(2,6-Dimethylmorpholin-4-yl)sulfonyl]benzoic acid
CID 2770973
4-(Chlorosulfonyl)benzoic acid
CID 82385

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid (CID 622959) is 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid?
The InChIKey is SBMWIDCANKNKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(2)9-16(10-12(3)4)21(19,20)14-7-5-13(6-8-14)15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid?
4-[bis(2-methylpropyl)sulfamoyl]benzoic acid has a molecular weight of 313.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 622959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).