2-(methanesulfonamido)benzoic acid

C8H9NO4S — CID 786039

IUPAC2-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C8H9NO4S/c1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKeyVESLFCBOKMWCRG-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.76
Rot. Bonds3

About 2-(methanesulfonamido)benzoic acid

2-(methanesulfonamido)benzoic acid (PubChem CID 786039) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(methanesulfonamido)benzoic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)benzoic acid
PubChem CID786039
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C8H9NO4S/c1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKeyVESLFCBOKMWCRG-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)benzoic acid?
The IUPAC name of 2-(methanesulfonamido)benzoic acid (CID 786039) is 2-(methanesulfonamido)benzoic acid.
What is the SMILES notation for 2-(methanesulfonamido)benzoic acid?
The canonical SMILES for 2-(methanesulfonamido)benzoic acid is CS(=O)(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(methanesulfonamido)benzoic acid?
The InChIKey is VESLFCBOKMWCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-14(12,13)9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11).
What are the key properties of 2-(methanesulfonamido)benzoic acid?
2-(methanesulfonamido)benzoic acid has a molecular weight of 215.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)benzoic acid is sourced from PubChem (CID 786039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).