2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid

C13H16ClNO4S — CID 107090100

IUPAC2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid
SMILESCC(CC1CC1)NS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C13H16ClNO4S/c1-8(6-9-2-3-9)15-20(18,19)10-4-5-11(13(16)17)12(14)7-10/h4-5,7-9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyWWEYLLSXOXXPFB-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.51
Rot. Bonds6

About 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid

2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid (PubChem CID 107090100) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid
PubChem CID107090100
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid
SMILESCC(CC1CC1)NS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C13H16ClNO4S/c1-8(6-9-2-3-9)15-20(18,19)10-4-5-11(13(16)17)12(14)7-10/h4-5,7-9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyWWEYLLSXOXXPFB-UHFFFAOYSA-N
XLogP2.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)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

2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
CID 107090108
2-chloro-5-(1-cyclopropylpropan-2-ylsulfamoyl)-3-fluorobenzoic acid
CID 81451923
3-bromo-5-(1-cyclopropylpropan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 79576290
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
2-chloro-4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 107089933
5-chloro-N-(1-cyclopropylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607914
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
4-amino-N-(1-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 82844725
2-chloro-4-[(3-hydroxycyclobutyl)methylsulfamoyl]benzoic acid
CID 107090153
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425
2-chloro-4-[1-cyclopropylethyl(methyl)sulfamoyl]benzoic acid
CID 104656448
2-chloro-4-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 107090063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid (CID 107090100) is 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid is CC(CC1CC1)NS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid?
The InChIKey is WWEYLLSXOXXPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-8(6-9-2-3-9)15-20(18,19)10-4-5-11(13(16)17)12(14)7-10/h4-5,7-9,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid?
2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid has a molecular weight of 317.79 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 107090100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).