3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid

C14H21NO4S — CID 43273604

IUPAC3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid
SMILESCCN(CC(C)C)S(=O)(=O)c1cc(C(=O)O)ccc1C
InChIInChI=1S/C14H21NO4S/c1-5-15(9-10(2)3)20(18,19)13-8-12(14(16)17)7-6-11(13)4/h6-8,10H,5,9H2,1-4H3,(H,16,17)
InChIKeyDTXOKPJJOFKWON-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.36
Rot. Bonds6

About 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid

3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid (PubChem CID 43273604) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid
PubChem CID43273604
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid
SMILESCCN(CC(C)C)S(=O)(=O)c1cc(C(=O)O)ccc1C
InChIInChI=1S/C14H21NO4S/c1-5-15(9-10(2)3)20(18,19)13-8-12(14(16)17)7-6-11(13)4/h6-8,10H,5,9H2,1-4H3,(H,16,17)
InChIKeyDTXOKPJJOFKWON-UHFFFAOYSA-N
XLogP2.36
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic 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

3-[ethyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 60951989
3-[ethyl(2-methylbutyl)sulfamoyl]-4-fluorobenzoic acid
CID 79482166
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
3-butan-2-ylsulfonyl-4-methylbenzoic acid
CID 43140818
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
2-[ethyl(2-methylpropyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919413
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
5-bromo-2-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 63420895
4-methyl-3-(5-methylhexan-2-ylsulfamoyl)benzoic acid
CID 43401328
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid?
The IUPAC name of 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid (CID 43273604) is 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid?
The canonical SMILES for 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid is CCN(CC(C)C)S(=O)(=O)c1cc(C(=O)O)ccc1C.
What is the InChIKey of 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid?
The InChIKey is DTXOKPJJOFKWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-5-15(9-10(2)3)20(18,19)13-8-12(14(16)17)7-6-11(13)4/h6-8,10H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid?
3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid has a molecular weight of 299.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)sulfamoyl]-4-methylbenzoic acid is sourced from PubChem (CID 43273604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).