2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid

C14H18ClNO4S — CID 81389268

IUPAC2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C1CCCC1
InChIInChI=1S/C14H18ClNO4S/c1-9(10-4-2-3-5-10)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyDQHDTRCOKIDIRN-VIFPVBQESA-N
MW331.82 g/mol
LogP2.90
Rot. Bonds5

About 2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid

2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid (PubChem CID 81389268) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
PubChem CID81389268
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C1CCCC1
InChIInChI=1S/C14H18ClNO4S/c1-9(10-4-2-3-5-10)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyDQHDTRCOKIDIRN-VIFPVBQESA-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-4-(1-cyclopentylethylsulfamoyl)benzoic acid
CID 107090108
5-[[(1S)-1-cyclopentylethyl]sulfamoyl]-2-iodobenzoic acid
CID 103962627
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
CID 106066129
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide
CID 167339915
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
CID 99982225
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965
5-[(1-carboxy-2-methylbutyl)sulfamoyl]-2-chlorobenzoic acid
CID 5120365

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid (CID 81389268) is 2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid is C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)C1CCCC1.
What is the InChIKey of 2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid?
The InChIKey is DQHDTRCOKIDIRN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-9(10-4-2-3-5-10)16-21(19,20)11-6-7-13(15)12(8-11)14(17)18/h6-10,16H,2-5H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid?
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]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-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 81389268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).