3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid

C9H9Cl2NO4S — CID 697936

IUPAC3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO4S/c10-6-2-1-3-7(11)9(6)17(15,16)12-5-4-8(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyALZFPJUXLAZZRV-UHFFFAOYSA-N
MW298.15 g/mol
LogP1.75
Rot. Bonds5

About 3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid

3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid (PubChem CID 697936) has the molecular formula C9H9Cl2NO4S and a molecular weight of 298.15 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
PubChem CID697936
Molecular FormulaC9H9Cl2NO4S
Molecular Weight298.15 g/mol
Exact Mass296.96
IUPAC Name3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO4S/c10-6-2-1-3-7(11)9(6)17(15,16)12-5-4-8(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyALZFPJUXLAZZRV-UHFFFAOYSA-N
XLogP1.75
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119352507
2-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl-methylamino]acetic acid
CID 119346190
4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 62044183
4-[(2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540414
3-[(6-chloro-2-hydroxy-3-nitrophenyl)sulfonylamino]propanoic acid
CID 174446680
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
CID 119498614
3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
CID 54881721
2-[(2,6-dichlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 2128469
N-(4-aminobutyl)-2,6-dichlorobenzenesulfonamide;hydrochloride
CID 120583800
3-[(2,6-dichlorophenyl)sulfonylamino]-N-(furan-3-ylmethyl)propanamide
CID 51120099
4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid
CID 122067620

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid (CID 697936) is 3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid?
The InChIKey is ALZFPJUXLAZZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO4S/c10-6-2-1-3-7(11)9(6)17(15,16)12-5-4-8(13)14/h1-3,12H,4-5H2,(H,13,14).
What are the key properties of 3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid?
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid has a molecular weight of 298.15 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 697936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).