2-methyl-5-sulfamoylbenzoic acid

C8H9NO4S — CID 2994667

IUPAC2-methyl-5-sulfamoylbenzoic acid
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C8H9NO4S/c1-5-2-3-6(14(9,12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChIKeyFGQKQQQUJXXYEF-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.34
Rot. Bonds2

About 2-methyl-5-sulfamoylbenzoic acid

2-methyl-5-sulfamoylbenzoic acid (PubChem CID 2994667) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-methyl-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-methyl-5-sulfamoylbenzoic acid
PubChem CID2994667
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2-methyl-5-sulfamoylbenzoic acid
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C8H9NO4S/c1-5-2-3-6(14(9,12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)(H2,9,12,13)
InChIKeyFGQKQQQUJXXYEF-UHFFFAOYSA-N
XLogP0.34
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-sulfamoylbenzoic acid?
The IUPAC name of 2-methyl-5-sulfamoylbenzoic acid (CID 2994667) is 2-methyl-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-methyl-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-methyl-5-sulfamoylbenzoic acid is Cc1ccc(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-sulfamoylbenzoic acid?
The InChIKey is FGQKQQQUJXXYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-5-2-3-6(14(9,12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)(H2,9,12,13).
What are the key properties of 2-methyl-5-sulfamoylbenzoic acid?
2-methyl-5-sulfamoylbenzoic acid has a molecular weight of 215.23 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-sulfamoylbenzoic acid is sourced from PubChem (CID 2994667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).