4-(benzylsulfamoyl)benzoate

C14H12NO4S- — CID 4743721

IUPAC4-(benzylsulfamoyl)benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H13NO4S/c16-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)/p-1
InChIKeyZSKWFWKPYTWADA-UHFFFAOYSA-M
MW290.32 g/mol
LogP0.53
Rot. Bonds5

About 4-(benzylsulfamoyl)benzoate

4-(benzylsulfamoyl)benzoate (PubChem CID 4743721) has the molecular formula C14H12NO4S- and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(benzylsulfamoyl)benzoate.

Molecular Properties

Compound Name4-(benzylsulfamoyl)benzoate
PubChem CID4743721
Molecular FormulaC14H12NO4S-
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name4-(benzylsulfamoyl)benzoate
SMILESO=C([O-])c1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H13NO4S/c16-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)/p-1
InChIKeyZSKWFWKPYTWADA-UHFFFAOYSA-M
XLogP0.53
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
4-(benzylsulfamoyl)benzenecarbothioamide
CID 3643967
4-[4-(benzylsulfamoyl)phenyl]-N-phenylbenzamide
CID 46385849
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39436087
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
4-(phenylsulfamoyl)benzoate
CID 6997297

Frequently Asked Questions

What is the IUPAC name of 4-(benzylsulfamoyl)benzoate?
The IUPAC name of 4-(benzylsulfamoyl)benzoate (CID 4743721) is 4-(benzylsulfamoyl)benzoate.
What is the SMILES notation for 4-(benzylsulfamoyl)benzoate?
The canonical SMILES for 4-(benzylsulfamoyl)benzoate is O=C([O-])c1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of 4-(benzylsulfamoyl)benzoate?
The InChIKey is ZSKWFWKPYTWADA-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO4S/c16-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)/p-1.
What are the key properties of 4-(benzylsulfamoyl)benzoate?
4-(benzylsulfamoyl)benzoate has a molecular weight of 290.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylsulfamoyl)benzoate is sourced from PubChem (CID 4743721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).