2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid

C14H18ClNO4S — CID 60734449

IUPAC2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCC2CCCC2)ccc1Cl
InChIInChI=1S/C14H18ClNO4S/c15-13-6-5-11(9-12(13)14(17)18)21(19,20)16-8-7-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8H2,(H,17,18)
InChIKeyPPFMNKPJTNEROT-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.90
Rot. Bonds6

About 2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid

2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid (PubChem CID 60734449) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
PubChem CID60734449
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCC2CCCC2)ccc1Cl
InChIInChI=1S/C14H18ClNO4S/c15-13-6-5-11(9-12(13)14(17)18)21(19,20)16-8-7-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8H2,(H,17,18)
InChIKeyPPFMNKPJTNEROT-UHFFFAOYSA-N
XLogP2.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420743
2-chloro-5-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 60920912
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
2-chloro-5-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43396102
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
CID 115690473
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
2-chloro-5-(3-cyanopropylsulfamoyl)benzoic acid
CID 62667748
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618
2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
CID 110712522
2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
CID 38856928
4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958186

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid (CID 60734449) is 2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCCC2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid?
The InChIKey is PPFMNKPJTNEROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c15-13-6-5-11(9-12(13)14(17)18)21(19,20)16-8-7-10-3-1-2-4-10/h5-6,9-10,16H,1-4,7-8H2,(H,17,18).
What are the key properties of 2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid?
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid has a molecular weight of 331.82 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 60734449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).