3-[(4-chlorophenyl)sulfamoyl]benzoic acid

C13H10ClNO4S — CID 684906

IUPAC3-[(4-chlorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H10ClNO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)
InChIKeyOCJYPTXTMYFBMU-UHFFFAOYSA-N
MW311.75 g/mol
LogP2.84
Rot. Bonds4

About 3-[(4-chlorophenyl)sulfamoyl]benzoic acid

3-[(4-chlorophenyl)sulfamoyl]benzoic acid (PubChem CID 684906) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfamoyl]benzoic acid
PubChem CID684906
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name3-[(4-chlorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H10ClNO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17)
InChIKeyOCJYPTXTMYFBMU-UHFFFAOYSA-N
XLogP2.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]benzoic acid (CID 684906) is 3-[(4-chlorophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(4-chlorophenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfamoyl]benzoic acid?
The InChIKey is OCJYPTXTMYFBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c14-10-4-6-11(7-5-10)15-20(18,19)12-3-1-2-9(8-12)13(16)17/h1-8,15H,(H,16,17).
What are the key properties of 3-[(4-chlorophenyl)sulfamoyl]benzoic acid?
3-[(4-chlorophenyl)sulfamoyl]benzoic acid has a molecular weight of 311.75 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 684906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).