2-(benzenesulfonamido)-3,5-dimethylbenzoic acid

C15H15NO4S — CID 23647758

IUPAC2-(benzenesulfonamido)-3,5-dimethylbenzoic acid
SMILESCc1cc(C)c(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-10-8-11(2)14(13(9-10)15(17)18)16-21(19,20)12-6-4-3-5-7-12/h3-9,16H,1-2H3,(H,17,18)
InChIKeyORCGTMODRHXXRZ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.80
Rot. Bonds4

About 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid

2-(benzenesulfonamido)-3,5-dimethylbenzoic acid (PubChem CID 23647758) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-3,5-dimethylbenzoic acid
PubChem CID23647758
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-(benzenesulfonamido)-3,5-dimethylbenzoic acid
SMILESCc1cc(C)c(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-10-8-11(2)14(13(9-10)15(17)18)16-21(19,20)12-6-4-3-5-7-12/h3-9,16H,1-2H3,(H,17,18)
InChIKeyORCGTMODRHXXRZ-UHFFFAOYSA-N
XLogP2.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3'-Dicarboxybenzidine
CID 16475
2-Amino-3-methylbenzoic acid
CID 78101
5,5'-Methylenedianthranilic acid
CID 80444
2-Methanesulfonamidobenzoic acid
CID 786039
2-Amino-3,5-dimethylbenzoic acid
CID 259834
2-Amino-5-methylbenzoic acid
CID 76255
5-Methyl-2-((phenylsulfonyl)amino)benzoic acid
CID 6102684
2-[(Phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 6102685
3-Ethyl-6-(((4-fluorophenyl)sulfonyl)amino)-2-methylbenzoic acid
CID 23647763
Benzoic acid, 2-(((4-methylphenyl)sulfonyl)amino)-
CID 22763
Benzoic acid, 2-((phenylsulfonyl)amino)-
CID 36941
2-(Propane-1-sulfonamido)benzoic acid
CID 16770253

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid (CID 23647758) is 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid is Cc1cc(C)c(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid?
The InChIKey is ORCGTMODRHXXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-8-11(2)14(13(9-10)15(17)18)16-21(19,20)12-6-4-3-5-7-12/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid?
2-(benzenesulfonamido)-3,5-dimethylbenzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid is sourced from PubChem (CID 23647758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).