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

C15H13Cl2NO4S — CID 2766948

IUPAC3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO4S/c16-11-3-1-10(2-4-11)9-14(15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)
InChIKeyMBKIFDZRLANKGM-UHFFFAOYSA-N
MW374.25 g/mol
LogP2.97
Rot. Bonds6

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

3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid (PubChem CID 2766948) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
PubChem CID2766948
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO4S/c16-11-3-1-10(2-4-11)9-14(15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)
InChIKeyMBKIFDZRLANKGM-UHFFFAOYSA-N
XLogP2.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.97
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-chlorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid (CID 2766948) is 3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid is O=C(O)C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
The InChIKey is MBKIFDZRLANKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c16-11-3-1-10(2-4-11)9-14(15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid?
3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid has a molecular weight of 374.25 g/mol, XLogP of 2.97, 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-chlorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 2766948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).