4-chloro-3-(cyclohexylsulfamoyl)benzoic acid

C13H16ClNO4S — CID 623625

IUPAC4-chloro-3-(cyclohexylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C13H16ClNO4S/c14-11-7-6-9(13(16)17)8-12(11)20(18,19)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H,16,17)
InChIKeyWZIMNKPEJGJVQE-UHFFFAOYSA-N
MW317.79 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-3-(cyclohexylsulfamoyl)benzoic acid

4-chloro-3-(cyclohexylsulfamoyl)benzoic acid (PubChem CID 623625) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 4-chloro-3-(cyclohexylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(cyclohexylsulfamoyl)benzoic acid
PubChem CID623625
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name4-chloro-3-(cyclohexylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1
InChIInChI=1S/C13H16ClNO4S/c14-11-7-6-9(13(16)17)8-12(11)20(18,19)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H,16,17)
InChIKeyWZIMNKPEJGJVQE-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclohexylsulfamoyl)benzoic acid?
The IUPAC name of 4-chloro-3-(cyclohexylsulfamoyl)benzoic acid (CID 623625) is 4-chloro-3-(cyclohexylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(cyclohexylsulfamoyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(cyclohexylsulfamoyl)benzoic acid is O=C(O)c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1.
What is the InChIKey of 4-chloro-3-(cyclohexylsulfamoyl)benzoic acid?
The InChIKey is WZIMNKPEJGJVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c14-11-7-6-9(13(16)17)8-12(11)20(18,19)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H,16,17).
What are the key properties of 4-chloro-3-(cyclohexylsulfamoyl)benzoic acid?
4-chloro-3-(cyclohexylsulfamoyl)benzoic acid has a molecular weight of 317.79 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclohexylsulfamoyl)benzoic acid is sourced from PubChem (CID 623625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).