2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid

C9H9Cl2NO4S — CID 3729097

IUPAC2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C9H9Cl2NO4S/c1-5(9(13)14)12-17(15,16)8-6(10)3-2-4-7(8)11/h2-5,12H,1H3,(H,13,14)
InChIKeyPAUBDKVONJBMDJ-UHFFFAOYSA-N
MW298.15 g/mol
LogP1.74
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid

2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid (PubChem CID 3729097) has the molecular formula C9H9Cl2NO4S and a molecular weight of 298.15 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
PubChem CID3729097
Molecular FormulaC9H9Cl2NO4S
Molecular Weight298.15 g/mol
Exact Mass296.96
IUPAC Name2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O
InChIInChI=1S/C9H9Cl2NO4S/c1-5(9(13)14)12-17(15,16)8-6(10)3-2-4-7(8)11/h2-5,12H,1H3,(H,13,14)
InChIKeyPAUBDKVONJBMDJ-UHFFFAOYSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid (CID 3729097) is 2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid?
The InChIKey is PAUBDKVONJBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO4S/c1-5(9(13)14)12-17(15,16)8-6(10)3-2-4-7(8)11/h2-5,12H,1H3,(H,13,14).
What are the key properties of 2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid?
2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid has a molecular weight of 298.15 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 3729097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).