2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid

C16H14Cl3NO4S — CID 23645776

IUPAC2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO4S/c1-10(16(21)22)20(9-11-4-2-3-5-13(11)18)25(23,24)15-8-12(17)6-7-14(15)19/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyAMBKWLUZPIHZSU-UHFFFAOYSA-N
MW422.72 g/mol
LogP4.31
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid

2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid (PubChem CID 23645776) has the molecular formula C16H14Cl3NO4S and a molecular weight of 422.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid
PubChem CID23645776
Molecular FormulaC16H14Cl3NO4S
Molecular Weight422.72 g/mol
Exact Mass420.97
IUPAC Name2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl3NO4S/c1-10(16(21)22)20(9-11-4-2-3-5-13(11)18)25(23,24)15-8-12(17)6-7-14(15)19/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyAMBKWLUZPIHZSU-UHFFFAOYSA-N
XLogP4.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.72
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid (CID 23645776) is 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid is CC(C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid?
The InChIKey is AMBKWLUZPIHZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO4S/c1-10(16(21)22)20(9-11-4-2-3-5-13(11)18)25(23,24)15-8-12(17)6-7-14(15)19/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid?
2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid has a molecular weight of 422.72 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(2,5-dichlorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 23645776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).