4-(methylsulfamoyl)benzoic acid

C8H9NO4S — CID 506056

IUPAC4-(methylsulfamoyl)benzoic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H9NO4S/c1-9-14(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKeyPAOYGUDKABVANA-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.29
Rot. Bonds3

About 4-(methylsulfamoyl)benzoic acid

4-(methylsulfamoyl)benzoic acid (PubChem CID 506056) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 4-(methylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(methylsulfamoyl)benzoic acid
PubChem CID506056
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name4-(methylsulfamoyl)benzoic acid
SMILESCNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H9NO4S/c1-9-14(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKeyPAOYGUDKABVANA-UHFFFAOYSA-N
XLogP0.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoyl)benzoic acid?
The IUPAC name of 4-(methylsulfamoyl)benzoic acid (CID 506056) is 4-(methylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(methylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(methylsulfamoyl)benzoic acid is CNS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(methylsulfamoyl)benzoic acid?
The InChIKey is PAOYGUDKABVANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-9-14(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11).
What are the key properties of 4-(methylsulfamoyl)benzoic acid?
4-(methylsulfamoyl)benzoic acid has a molecular weight of 215.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoyl)benzoic acid is sourced from PubChem (CID 506056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).