3-chloro-2-(cyclohexylsulfonylamino)benzoic acid

C13H16ClNO4S — CID 107049283

IUPAC3-chloro-2-(cyclohexylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(Cl)c1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H16ClNO4S/c14-11-8-4-7-10(13(16)17)12(11)15-20(18,19)9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2,(H,16,17)
InChIKeyXWGCZYRKIMMOCC-UHFFFAOYSA-N
MW317.79 g/mol
LogP3.11
Rot. Bonds4

About 3-chloro-2-(cyclohexylsulfonylamino)benzoic acid

3-chloro-2-(cyclohexylsulfonylamino)benzoic acid (PubChem CID 107049283) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 3-chloro-2-(cyclohexylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-chloro-2-(cyclohexylsulfonylamino)benzoic acid
PubChem CID107049283
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name3-chloro-2-(cyclohexylsulfonylamino)benzoic acid
SMILESO=C(O)c1cccc(Cl)c1NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H16ClNO4S/c14-11-8-4-7-10(13(16)17)12(11)15-20(18,19)9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2,(H,16,17)
InChIKeyXWGCZYRKIMMOCC-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-chloro-6-(cyclohexylsulfonylamino)benzoic acid
CID 63724305
3-chloro-2-(cyclopropylmethylsulfonylamino)benzoic acid
CID 104933689
2-chloro-5-(cyclopropylsulfonylamino)benzoic acid
CID 62998220
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
CID 45314134
6-(cyclohexylsulfonylamino)pyridine-2-carboxylic acid
CID 63643438
2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid
CID 61066174
2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid
CID 104933701
2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
CID 113230561
3-chloro-2-(oxolane-2-carbonylamino)benzoic acid
CID 90792803
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
2-(cyclohexylmethylsulfonylamino)-3-fluorobenzoic acid
CID 81499032
2-(cyclohexylmethylsulfonylamino)-3-methylbenzoic acid
CID 61453613

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(cyclohexylsulfonylamino)benzoic acid?
The IUPAC name of 3-chloro-2-(cyclohexylsulfonylamino)benzoic acid (CID 107049283) is 3-chloro-2-(cyclohexylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-chloro-2-(cyclohexylsulfonylamino)benzoic acid?
The canonical SMILES for 3-chloro-2-(cyclohexylsulfonylamino)benzoic acid is O=C(O)c1cccc(Cl)c1NS(=O)(=O)C1CCCCC1.
What is the InChIKey of 3-chloro-2-(cyclohexylsulfonylamino)benzoic acid?
The InChIKey is XWGCZYRKIMMOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c14-11-8-4-7-10(13(16)17)12(11)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 3-chloro-2-(cyclohexylsulfonylamino)benzoic acid?
3-chloro-2-(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 3-chloro-2-(cyclohexylsulfonylamino)benzoic acid is sourced from PubChem (CID 107049283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).