2-chloro-6-(cyclohexylsulfonylamino)benzoic acid

C13H16ClNO4S — CID 63724305

IUPAC2-chloro-6-(cyclohexylsulfonylamino)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H16ClNO4S/c14-10-7-4-8-11(12(10)13(16)17)15-20(18,19)9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2,(H,16,17)
InChIKeyRNBLCTVCUWHDHY-UHFFFAOYSA-N
MW317.79 g/mol
LogP3.11
Rot. Bonds4

About 2-chloro-6-(cyclohexylsulfonylamino)benzoic acid

2-chloro-6-(cyclohexylsulfonylamino)benzoic acid (PubChem CID 63724305) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-chloro-6-(cyclohexylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(cyclohexylsulfonylamino)benzoic acid
PubChem CID63724305
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-chloro-6-(cyclohexylsulfonylamino)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H16ClNO4S/c14-10-7-4-8-11(12(10)13(16)17)15-20(18,19)9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2,(H,16,17)
InChIKeyRNBLCTVCUWHDHY-UHFFFAOYSA-N
XLogP3.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
CID 113230561
3-chloro-2-(cyclohexylsulfonylamino)benzoic acid
CID 107049283
2-chloro-6-(cyclopentylmethylamino)benzoic acid
CID 62710285
N-(3-hydroxy-2-methylphenyl)cyclopentanesulfonamide
CID 105361239
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
CID 63643438
2-chloro-6-(piperidine-1-carbonylamino)benzoic acid
CID 63722614
3-chloro-4-(cyclopropylsulfonylamino)benzoic acid
CID 64552202
2-chloro-6-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114462676
3-amino-4-(cyclohexylsulfonylamino)benzoic acid
CID 63117178
2-chloro-6-cyclopentylbenzoic acid
CID 90041585
2-chloro-6-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 62710949
2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364838

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclohexylsulfonylamino)benzoic acid?
The IUPAC name of 2-chloro-6-(cyclohexylsulfonylamino)benzoic acid (CID 63724305) is 2-chloro-6-(cyclohexylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-chloro-6-(cyclohexylsulfonylamino)benzoic acid?
The canonical SMILES for 2-chloro-6-(cyclohexylsulfonylamino)benzoic acid is O=C(O)c1c(Cl)cccc1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-chloro-6-(cyclohexylsulfonylamino)benzoic acid?
The InChIKey is RNBLCTVCUWHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c14-10-7-4-8-11(12(10)13(16)17)15-20(18,19)9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2,(H,16,17).
What are the key properties of 2-chloro-6-(cyclohexylsulfonylamino)benzoic acid?
2-chloro-6-(cyclohexylsulfonylamino)benzoic acid has a molecular weight of 317.79 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclohexylsulfonylamino)benzoic acid is sourced from PubChem (CID 63724305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).