3-[(3-methylphenyl)sulfamoyl]benzoate

C14H12NO4S- — CID 7040416

IUPAC3-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1
InChIInChI=1S/C14H13NO4S/c1-10-4-2-6-12(8-10)15-20(18,19)13-7-3-5-11(9-13)14(16)17/h2-9,15H,1H3,(H,16,17)/p-1
InChIKeySBCGIAAHIVKYKK-UHFFFAOYSA-M
MW290.32 g/mol
LogP1.16
Rot. Bonds4

About 3-[(3-methylphenyl)sulfamoyl]benzoate

3-[(3-methylphenyl)sulfamoyl]benzoate (PubChem CID 7040416) has the molecular formula C14H12NO4S- and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(3-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name3-[(3-methylphenyl)sulfamoyl]benzoate
PubChem CID7040416
Molecular FormulaC14H12NO4S-
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name3-[(3-methylphenyl)sulfamoyl]benzoate
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1
InChIInChI=1S/C14H13NO4S/c1-10-4-2-6-12(8-10)15-20(18,19)13-7-3-5-11(9-13)14(16)17/h2-9,15H,1H3,(H,16,17)/p-1
InChIKeySBCGIAAHIVKYKK-UHFFFAOYSA-M
XLogP1.16
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6963605
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 4100122
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
3-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate
CID 8015545
N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 132663234

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of 3-[(3-methylphenyl)sulfamoyl]benzoate (CID 7040416) is 3-[(3-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for 3-[(3-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for 3-[(3-methylphenyl)sulfamoyl]benzoate is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)sulfamoyl]benzoate?
The InChIKey is SBCGIAAHIVKYKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO4S/c1-10-4-2-6-12(8-10)15-20(18,19)13-7-3-5-11(9-13)14(16)17/h2-9,15H,1H3,(H,16,17)/p-1.
What are the key properties of 3-[(3-methylphenyl)sulfamoyl]benzoate?
3-[(3-methylphenyl)sulfamoyl]benzoate has a molecular weight of 290.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 7040416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).