3-[methyl(phenyl)sulfamoyl]benzoic acid

C14H13NO4S — CID 975146

IUPAC3-[methyl(phenyl)sulfamoyl]benzoic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C14H13NO4S/c1-15(12-7-3-2-4-8-12)20(18,19)13-9-5-6-11(10-13)14(16)17/h2-10H,1H3,(H,16,17)
InChIKeyIGPBIKWXWPLGGT-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.21
Rot. Bonds4

About 3-[methyl(phenyl)sulfamoyl]benzoic acid

3-[methyl(phenyl)sulfamoyl]benzoic acid (PubChem CID 975146) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[methyl(phenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[methyl(phenyl)sulfamoyl]benzoic acid
PubChem CID975146
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name3-[methyl(phenyl)sulfamoyl]benzoic acid
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C14H13NO4S/c1-15(12-7-3-2-4-8-12)20(18,19)13-9-5-6-11(10-13)14(16)17/h2-10H,1H3,(H,16,17)
InChIKeyIGPBIKWXWPLGGT-UHFFFAOYSA-N
XLogP2.21
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[methyl(phenyl)sulfamoyl]benzoic acid (CID 975146) is 3-[methyl(phenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[methyl(phenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[methyl(phenyl)sulfamoyl]benzoic acid is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[methyl(phenyl)sulfamoyl]benzoic acid?
The InChIKey is IGPBIKWXWPLGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-15(12-7-3-2-4-8-12)20(18,19)13-9-5-6-11(10-13)14(16)17/h2-10H,1H3,(H,16,17).
What are the key properties of 3-[methyl(phenyl)sulfamoyl]benzoic acid?
3-[methyl(phenyl)sulfamoyl]benzoic acid has a molecular weight of 291.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(phenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 975146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).