4-[(4-chlorophenyl)sulfamoyl]benzoate

C13H9ClNO4S- — CID 7062536

IUPAC4-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15H,(H,16,17)/p-1
InChIKeyXCJFUMVQXOEQIJ-UHFFFAOYSA-M
MW310.74 g/mol
LogP1.50
Rot. Bonds4

About 4-[(4-chlorophenyl)sulfamoyl]benzoate

4-[(4-chlorophenyl)sulfamoyl]benzoate (PubChem CID 7062536) has the molecular formula C13H9ClNO4S- and a molecular weight of 310.74 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfamoyl]benzoate
PubChem CID7062536
Molecular FormulaC13H9ClNO4S-
Molecular Weight310.74 g/mol
Exact Mass309.99
IUPAC Name4-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15H,(H,16,17)/p-1
InChIKeyXCJFUMVQXOEQIJ-UHFFFAOYSA-M
XLogP1.50
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-[(4-iodophenyl)sulfonylamino]benzoate
CID 7312166
4-(phenylsulfamoyl)benzoate
CID 6997297
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 1375859
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678524

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of 4-[(4-chlorophenyl)sulfamoyl]benzoate (CID 7062536) is 4-[(4-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for 4-[(4-chlorophenyl)sulfamoyl]benzoate is O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is XCJFUMVQXOEQIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10ClNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15H,(H,16,17)/p-1.
What are the key properties of 4-[(4-chlorophenyl)sulfamoyl]benzoate?
4-[(4-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 310.74 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 7062536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).