5-methyl-4-phenyl-2-sulfamoylbenzoic acid

C14H13NO4S — CID 54037374

IUPAC5-methyl-4-phenyl-2-sulfamoylbenzoic acid
SMILESCc1cc(C(=O)O)c(S(N)(=O)=O)cc1-c1ccccc1
InChIInChI=1S/C14H13NO4S/c1-9-7-12(14(16)17)13(20(15,18)19)8-11(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyLJXKKZXIMGVROG-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.01
Rot. Bonds3

About 5-methyl-4-phenyl-2-sulfamoylbenzoic acid

5-methyl-4-phenyl-2-sulfamoylbenzoic acid (PubChem CID 54037374) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-sulfamoylbenzoic acid.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-sulfamoylbenzoic acid
PubChem CID54037374
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name5-methyl-4-phenyl-2-sulfamoylbenzoic acid
SMILESCc1cc(C(=O)O)c(S(N)(=O)=O)cc1-c1ccccc1
InChIInChI=1S/C14H13NO4S/c1-9-7-12(14(16)17)13(20(15,18)19)8-11(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyLJXKKZXIMGVROG-UHFFFAOYSA-N
XLogP2.01
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-sulfamoylbenzoic acid?
The IUPAC name of 5-methyl-4-phenyl-2-sulfamoylbenzoic acid (CID 54037374) is 5-methyl-4-phenyl-2-sulfamoylbenzoic acid.
What is the SMILES notation for 5-methyl-4-phenyl-2-sulfamoylbenzoic acid?
The canonical SMILES for 5-methyl-4-phenyl-2-sulfamoylbenzoic acid is Cc1cc(C(=O)O)c(S(N)(=O)=O)cc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-sulfamoylbenzoic acid?
The InChIKey is LJXKKZXIMGVROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-9-7-12(14(16)17)13(20(15,18)19)8-11(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-methyl-4-phenyl-2-sulfamoylbenzoic acid?
5-methyl-4-phenyl-2-sulfamoylbenzoic acid has a molecular weight of 291.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-sulfamoylbenzoic acid is sourced from PubChem (CID 54037374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).