2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid

C14H18ClNO4S — CID 107090108

IUPAC2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
SMILESCC(NS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H18ClNO4S/c1-9(10-4-2-3-5-10)16-21(19,20)11-6-7-12(14(17)18)13(15)8-11/h6-10,16H,2-5H2,1H3,(H,17,18)
InChIKeyFMPVBAHMJBEJRO-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.90
Rot. Bonds5

About 2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid

2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid (PubChem CID 107090108) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
PubChem CID107090108
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
SMILESCC(NS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H18ClNO4S/c1-9(10-4-2-3-5-10)16-21(19,20)11-6-7-12(14(17)18)13(15)8-11/h6-10,16H,2-5H2,1H3,(H,17,18)
InChIKeyFMPVBAHMJBEJRO-UHFFFAOYSA-N
XLogP2.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid
CID 103962627
2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid
CID 107090100
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide
CID 167339915
3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
CID 106066129
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
2-chloro-4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 107089933
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609
2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid
CID 107090176

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid (CID 107090108) is 2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid is CC(NS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1)C1CCCC1.
What is the InChIKey of 2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid?
The InChIKey is FMPVBAHMJBEJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-9(10-4-2-3-5-10)16-21(19,20)11-6-7-12(14(17)18)13(15)8-11/h6-10,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid?
2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid has a molecular weight of 331.82 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 107090108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).