3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid

C15H21NO4S — CID 64921123

IUPAC3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCCC1CCC(NS(=O)(=O)c2cccc(C(=O)O)c2)C1C
InChIInChI=1S/C15H21NO4S/c1-3-11-7-8-14(10(11)2)16-21(19,20)13-6-4-5-12(9-13)15(17)18/h4-6,9-11,14,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyUYFDFRCFMGDYSL-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.49
Rot. Bonds5

About 3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid

3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid (PubChem CID 64921123) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid
PubChem CID64921123
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCCC1CCC(NS(=O)(=O)c2cccc(C(=O)O)c2)C1C
InChIInChI=1S/C15H21NO4S/c1-3-11-7-8-14(10(11)2)16-21(19,20)13-6-4-5-12(9-13)15(17)18/h4-6,9-11,14,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyUYFDFRCFMGDYSL-UHFFFAOYSA-N
XLogP2.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethyl-2-methylcyclopentyl)-3-hydroxybenzenesulfonamide
CID 81258221
3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916220
3-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]benzoic acid
CID 107216276
N-(2-ethylcyclopropyl)-3-propanoylbenzenesulfonamide
CID 114108471
3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64914030
4-(ethylamino)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64915651
3-(propylsulfamoyl)benzoic acid
CID 2442822
3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43081984
3-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]sulfamoyl]benzoate
CID 11916136
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
3-(hydroxysulfamoyl)benzoic acid
CID 10727486
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid (CID 64921123) is 3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid is CCC1CCC(NS(=O)(=O)c2cccc(C(=O)O)c2)C1C.
What is the InChIKey of 3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is UYFDFRCFMGDYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-11-7-8-14(10(11)2)16-21(19,20)13-6-4-5-12(9-13)15(17)18/h4-6,9-11,14,16H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid?
3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-methylcyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 64921123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).