5-chloro-2-(methanesulfonamido)benzoic acid

C8H8ClNO4S — CID 16774789

IUPAC5-chloro-2-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C8H8ClNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyMSJXONVQCMKJDI-UHFFFAOYSA-N
MW249.68 g/mol
LogP1.41
Rot. Bonds3

About 5-chloro-2-(methanesulfonamido)benzoic acid

5-chloro-2-(methanesulfonamido)benzoic acid (PubChem CID 16774789) has the molecular formula C8H8ClNO4S and a molecular weight of 249.68 g/mol. Its IUPAC name is 5-chloro-2-(methanesulfonamido)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(methanesulfonamido)benzoic acid
PubChem CID16774789
Molecular FormulaC8H8ClNO4S
Molecular Weight249.68 g/mol
Exact Mass248.99
IUPAC Name5-chloro-2-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C8H8ClNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyMSJXONVQCMKJDI-UHFFFAOYSA-N
XLogP1.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methanesulfonamido)benzoic acid?
The IUPAC name of 5-chloro-2-(methanesulfonamido)benzoic acid (CID 16774789) is 5-chloro-2-(methanesulfonamido)benzoic acid.
What is the SMILES notation for 5-chloro-2-(methanesulfonamido)benzoic acid?
The canonical SMILES for 5-chloro-2-(methanesulfonamido)benzoic acid is CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-(methanesulfonamido)benzoic acid?
The InChIKey is MSJXONVQCMKJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12).
What are the key properties of 5-chloro-2-(methanesulfonamido)benzoic acid?
5-chloro-2-(methanesulfonamido)benzoic acid has a molecular weight of 249.68 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methanesulfonamido)benzoic acid is sourced from PubChem (CID 16774789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).