2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid

C15H14ClNO4S — CID 2766961

IUPAC2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14ClNO4S/c16-12-8-6-11(7-9-12)10-14(15(18)19)17-22(20,21)13-4-2-1-3-5-13/h1-9,14,17H,10H2,(H,18,19)
InChIKeyWXRDOYKQGTZUTF-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.31
Rot. Bonds6

About 2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid

2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid (PubChem CID 2766961) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid
PubChem CID2766961
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14ClNO4S/c16-12-8-6-11(7-9-12)10-14(15(18)19)17-22(20,21)13-4-2-1-3-5-13/h1-9,14,17H,10H2,(H,18,19)
InChIKeyWXRDOYKQGTZUTF-UHFFFAOYSA-N
XLogP2.31
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid?
The IUPAC name of 2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid (CID 2766961) is 2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid?
The canonical SMILES for 2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid is O=C(O)C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid?
The InChIKey is WXRDOYKQGTZUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c16-12-8-6-11(7-9-12)10-14(15(18)19)17-22(20,21)13-4-2-1-3-5-13/h1-9,14,17H,10H2,(H,18,19).
What are the key properties of 2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid?
2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid has a molecular weight of 339.80 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-3-(4-chlorophenyl)propanoic acid is sourced from PubChem (CID 2766961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).