2-(benzenesulfonamido)-4-ethenylbenzoic acid

C15H13NO4S — CID 68863859

IUPAC2-(benzenesulfonamido)-4-ethenylbenzoic acid
SMILESC=Cc1ccc(C(=O)O)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO4S/c1-2-11-8-9-13(15(17)18)14(10-11)16-21(19,20)12-6-4-3-5-7-12/h2-10,16H,1H2,(H,17,18)
InChIKeySWCRJSPSKPQDKL-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.83
Rot. Bonds5

About 2-(benzenesulfonamido)-4-ethenylbenzoic acid

2-(benzenesulfonamido)-4-ethenylbenzoic acid (PubChem CID 68863859) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-4-ethenylbenzoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-4-ethenylbenzoic acid
PubChem CID68863859
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name2-(benzenesulfonamido)-4-ethenylbenzoic acid
SMILESC=Cc1ccc(C(=O)O)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO4S/c1-2-11-8-9-13(15(17)18)14(10-11)16-21(19,20)12-6-4-3-5-7-12/h2-10,16H,1H2,(H,17,18)
InChIKeySWCRJSPSKPQDKL-UHFFFAOYSA-N
XLogP2.83
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-4-ethenylbenzoic acid?
The IUPAC name of 2-(benzenesulfonamido)-4-ethenylbenzoic acid (CID 68863859) is 2-(benzenesulfonamido)-4-ethenylbenzoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-4-ethenylbenzoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-4-ethenylbenzoic acid is C=Cc1ccc(C(=O)O)c(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-(benzenesulfonamido)-4-ethenylbenzoic acid?
The InChIKey is SWCRJSPSKPQDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-2-11-8-9-13(15(17)18)14(10-11)16-21(19,20)12-6-4-3-5-7-12/h2-10,16H,1H2,(H,17,18).
What are the key properties of 2-(benzenesulfonamido)-4-ethenylbenzoic acid?
2-(benzenesulfonamido)-4-ethenylbenzoic acid has a molecular weight of 303.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-4-ethenylbenzoic acid is sourced from PubChem (CID 68863859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).