2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid

C14H18BrNO4S — CID 79870885

IUPAC2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid
SMILESCC1(C)CCCC1NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C14H18BrNO4S/c1-14(2)7-3-4-12(14)16-21(19,20)9-5-6-11(15)10(8-9)13(17)18/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyILTUDQJEDZCMSU-UHFFFAOYSA-N
MW376.27 g/mol
LogP3.00
Rot. Bonds4

About 2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid

2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid (PubChem CID 79870885) has the molecular formula C14H18BrNO4S and a molecular weight of 376.27 g/mol. Its IUPAC name is 2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid
PubChem CID79870885
Molecular FormulaC14H18BrNO4S
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC Name2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid
SMILESCC1(C)CCCC1NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C14H18BrNO4S/c1-14(2)7-3-4-12(14)16-21(19,20)9-5-6-11(15)10(8-9)13(17)18/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyILTUDQJEDZCMSU-UHFFFAOYSA-N
XLogP3.00
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-[(2,2-dimethylcyclopentyl)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

5-[(2,2-dimethylcyclopentyl)sulfamoyl]-2-fluorobenzenecarbothioamide
CID 79871093
2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79872231
2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106209132
2-bromo-5-(hydroxysulfamoyl)benzoic acid
CID 78908716
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 79878268
4-[(2,2-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79861610
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
2-bromo-5-cyclohexylsulfonylbenzoic acid
CID 43323171
2-amino-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872672
N-(2,2-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
CID 79873051
4-[(2,2-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 79871097

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid (CID 79870885) is 2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid is CC1(C)CCCC1NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is ILTUDQJEDZCMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4S/c1-14(2)7-3-4-12(14)16-21(19,20)9-5-6-11(15)10(8-9)13(17)18/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid?
2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 376.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 79870885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).