2-(benzenesulfonamido)-5-methylbenzoic acid

C14H13NO4S — CID 6102684

IUPAC2-(benzenesulfonamido)-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17)
InChIKeyHXQLTRSIZRSFTR-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.49
Rot. Bonds4

About 2-(benzenesulfonamido)-5-methylbenzoic acid

2-(benzenesulfonamido)-5-methylbenzoic acid (PubChem CID 6102684) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-5-methylbenzoic acid
PubChem CID6102684
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name2-(benzenesulfonamido)-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17)
InChIKeyHXQLTRSIZRSFTR-UHFFFAOYSA-N
XLogP2.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-5-methylbenzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-5-methylbenzoic acid (CID 6102684) is 2-(benzenesulfonamido)-5-methylbenzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-5-methylbenzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-5-methylbenzoic acid is Cc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 2-(benzenesulfonamido)-5-methylbenzoic acid?
The InChIKey is HXQLTRSIZRSFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17).
What are the key properties of 2-(benzenesulfonamido)-5-methylbenzoic acid?
2-(benzenesulfonamido)-5-methylbenzoic acid has a molecular weight of 291.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-5-methylbenzoic acid is sourced from PubChem (CID 6102684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).