4-(phenylsulfamoyl)benzoate

C13H10NO4S- — CID 6997297

IUPAC4-(phenylsulfamoyl)benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C13H11NO4S/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11/h1-9,14H,(H,15,16)/p-1
InChIKeyBPLSJCLWJLIHTI-UHFFFAOYSA-M
MW276.29 g/mol
LogP0.85
Rot. Bonds4

About 4-(phenylsulfamoyl)benzoate

4-(phenylsulfamoyl)benzoate (PubChem CID 6997297) has the molecular formula C13H10NO4S- and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name4-(phenylsulfamoyl)benzoate
PubChem CID6997297
Molecular FormulaC13H10NO4S-
Molecular Weight276.29 g/mol
Exact Mass276.03
IUPAC Name4-(phenylsulfamoyl)benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C13H11NO4S/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11/h1-9,14H,(H,15,16)/p-1
InChIKeyBPLSJCLWJLIHTI-UHFFFAOYSA-M
XLogP0.85
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-iodophenyl)sulfonylamino]benzoate
CID 7312166
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-butanoyl-N-phenylbenzenesulfonamide
CID 82164605
N'-hydroxy-4-(phenylsulfamoyl)benzenecarboximidamide
CID 89392412
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
4-(benzylsulfamoyl)benzoate
CID 4743721
sodium 4-[(2-methylphenyl)sulfonylamino]benzoate
CID 23687871
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
[(Z)-[amino-[4-(phenylsulfamoyl)phenyl]methylidene]amino] acetate
CID 53243731

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfamoyl)benzoate?
The IUPAC name of 4-(phenylsulfamoyl)benzoate (CID 6997297) is 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for 4-(phenylsulfamoyl)benzoate is O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-(phenylsulfamoyl)benzoate?
The InChIKey is BPLSJCLWJLIHTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO4S/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11/h1-9,14H,(H,15,16)/p-1.
What are the key properties of 4-(phenylsulfamoyl)benzoate?
4-(phenylsulfamoyl)benzoate has a molecular weight of 276.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 6997297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).