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

C16H16ClNO4S — CID 2766962

IUPAC3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1ccc(S(=O)(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)cc1
InChIInChI=1S/C16H16ClNO4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(16(19)20)10-12-4-6-13(17)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20)
InChIKeyJZOICEPXBNEDMH-UHFFFAOYSA-N
MW353.83 g/mol
LogP2.62
Rot. Bonds6

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

3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (PubChem CID 2766962) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
PubChem CID2766962
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
SMILESCc1ccc(S(=O)(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)cc1
InChIInChI=1S/C16H16ClNO4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(16(19)20)10-12-4-6-13(17)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20)
InChIKeyJZOICEPXBNEDMH-UHFFFAOYSA-N
XLogP2.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (CID 2766962) is 3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid is Cc1ccc(S(=O)(=O)NC(Cc2ccc(Cl)cc2)C(=O)O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid?
The InChIKey is JZOICEPXBNEDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(16(19)20)10-12-4-6-13(17)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid?
3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid has a molecular weight of 353.83 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 2766962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).