2-(benzenesulfonamido)-5-ethylbenzoic acid

C15H15NO4S — CID 10402833

IUPAC2-(benzenesulfonamido)-5-ethylbenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-2-11-8-9-14(13(10-11)15(17)18)16-21(19,20)12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,17,18)
InChIKeyBUWBVEJQFXVJCT-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.75
Rot. Bonds5

About 2-(benzenesulfonamido)-5-ethylbenzoic acid

2-(benzenesulfonamido)-5-ethylbenzoic acid (PubChem CID 10402833) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-5-ethylbenzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-5-ethylbenzoic acid
PubChem CID10402833
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-(benzenesulfonamido)-5-ethylbenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-2-11-8-9-14(13(10-11)15(17)18)16-21(19,20)12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,17,18)
InChIKeyBUWBVEJQFXVJCT-UHFFFAOYSA-N
XLogP2.75
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-5-ethylbenzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-5-ethylbenzoic acid (CID 10402833) is 2-(benzenesulfonamido)-5-ethylbenzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-5-ethylbenzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-5-ethylbenzoic acid is CCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 2-(benzenesulfonamido)-5-ethylbenzoic acid?
The InChIKey is BUWBVEJQFXVJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-2-11-8-9-14(13(10-11)15(17)18)16-21(19,20)12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,17,18).
What are the key properties of 2-(benzenesulfonamido)-5-ethylbenzoic acid?
2-(benzenesulfonamido)-5-ethylbenzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-5-ethylbenzoic acid is sourced from PubChem (CID 10402833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).