3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid

C16H16ClNO5S — CID 4572451

IUPAC3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)cc1
InChIInChI=1S/C16H16ClNO5S/c1-23-13-6-8-14(9-7-13)24(21,22)18-15(16(19)20)10-11-2-4-12(17)5-3-11/h2-9,15,18H,10H2,1H3,(H,19,20)
InChIKeyUYZVOBZDHCEWGY-UHFFFAOYSA-N
MW369.83 g/mol
LogP2.32
Rot. Bonds7

About 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid

3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid (PubChem CID 4572451) has the molecular formula C16H16ClNO5S and a molecular weight of 369.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
PubChem CID4572451
Molecular FormulaC16H16ClNO5S
Molecular Weight369.83 g/mol
Exact Mass369.04
IUPAC Name3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)cc1
InChIInChI=1S/C16H16ClNO5S/c1-23-13-6-8-14(9-7-13)24(21,22)18-15(16(19)20)10-11-2-4-12(17)5-3-11/h2-9,15,18H,10H2,1H3,(H,19,20)
InChIKeyUYZVOBZDHCEWGY-UHFFFAOYSA-N
XLogP2.32
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid (CID 4572451) is 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid is COc1ccc(S(=O)(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid?
The InChIKey is UYZVOBZDHCEWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S/c1-23-13-6-8-14(9-7-13)24(21,22)18-15(16(19)20)10-11-2-4-12(17)5-3-11/h2-9,15,18H,10H2,1H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid?
3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid has a molecular weight of 369.83 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 4572451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).