3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid

C10H11ClFNO5S — CID 104936858

IUPAC3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
SMILESCOC(CNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O
InChIInChI=1S/C10H11ClFNO5S/c1-18-8(10(14)15)5-13-19(16,17)9-3-2-6(12)4-7(9)11/h2-4,8,13H,5H2,1H3,(H,14,15)
InChIKeyHRPBGNBXNCJCOR-UHFFFAOYSA-N
MW311.72 g/mol
LogP0.86
Rot. Bonds6

About 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid

3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid (PubChem CID 104936858) has the molecular formula C10H11ClFNO5S and a molecular weight of 311.72 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
PubChem CID104936858
Molecular FormulaC10H11ClFNO5S
Molecular Weight311.72 g/mol
Exact Mass311.00
IUPAC Name3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
SMILESCOC(CNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O
InChIInChI=1S/C10H11ClFNO5S/c1-18-8(10(14)15)5-13-19(16,17)9-3-2-6(12)4-7(9)11/h2-4,8,13H,5H2,1H3,(H,14,15)
InChIKeyHRPBGNBXNCJCOR-UHFFFAOYSA-N
XLogP0.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936862
3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936683
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936690
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936827
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108260
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 104936834
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid (CID 104936858) is 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid is COC(CNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid?
The InChIKey is HRPBGNBXNCJCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO5S/c1-18-8(10(14)15)5-13-19(16,17)9-3-2-6(12)4-7(9)11/h2-4,8,13H,5H2,1H3,(H,14,15).
What are the key properties of 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid?
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid has a molecular weight of 311.72 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 104936858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).