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

C10H12FNO5S — CID 104936683

IUPAC3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
SMILESCOC(CNS(=O)(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H12FNO5S/c1-17-9(10(13)14)6-12-18(15,16)8-4-2-7(11)3-5-8/h2-5,9,12H,6H2,1H3,(H,13,14)
InChIKeyFTAPPEZNFMTHJS-UHFFFAOYSA-N
MW277.27 g/mol
LogP0.20
Rot. Bonds6

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

3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid (PubChem CID 104936683) has the molecular formula C10H12FNO5S and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
PubChem CID104936683
Molecular FormulaC10H12FNO5S
Molecular Weight277.27 g/mol
Exact Mass277.04
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
SMILESCOC(CNS(=O)(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H12FNO5S/c1-17-9(10(13)14)6-12-18(15,16)8-4-2-7(11)3-5-8/h2-5,9,12H,6H2,1H3,(H,13,14)
InChIKeyFTAPPEZNFMTHJS-UHFFFAOYSA-N
XLogP0.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936753
2-methoxy-3-[(4-propoxyphenyl)sulfonylamino]propanoic acid
CID 104936715
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936858
3-[(3-fluoro-4-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108278
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108260
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-methoxypropanoic acid
CID 104936736
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108273
2-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 104936834
N-(3-chloro-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 65036723
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 120582028

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid (CID 104936683) is 3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid is COC(CNS(=O)(=O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid?
The InChIKey is FTAPPEZNFMTHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO5S/c1-17-9(10(13)14)6-12-18(15,16)8-4-2-7(11)3-5-8/h2-5,9,12H,6H2,1H3,(H,13,14).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid?
3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid has a molecular weight of 277.27 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 104936683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).