3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid

C9H9F2NO4S — CID 64695884

IUPAC3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid
SMILESNCC(C(=O)O)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO4S/c10-5-1-2-6(11)7(3-5)17(15,16)8(4-12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
InChIKeyFCYHNLUXXRPOSB-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.15
Rot. Bonds4

About 3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid

3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid (PubChem CID 64695884) has the molecular formula C9H9F2NO4S and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid
PubChem CID64695884
Molecular FormulaC9H9F2NO4S
Molecular Weight265.24 g/mol
Exact Mass265.02
IUPAC Name3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid
SMILESNCC(C(=O)O)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO4S/c10-5-1-2-6(11)7(3-5)17(15,16)8(4-12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
InChIKeyFCYHNLUXXRPOSB-UHFFFAOYSA-N
XLogP0.15
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
3-amino-2-(2,5-difluorophenoxy)propanoic acid
CID 64695247
(2S)-5-amino-2-[(2,5-difluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141194
3-(2,5-difluorophenyl)sulfonylpropanoic acid
CID 16774065
2,5-difluorobenzenesulfonic acid;hydrochloride
CID 174777821
3-[(2,5-difluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 107258385
N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide
CID 106165234
4-(2,5-difluorophenyl)sulfonylbutan-1-amine
CID 64697007
N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide
CID 64697008
N-(2,5-difluorophenyl)-2-(2,5-difluorophenyl)sulfonylpropanamide
CID 42962648
4-amino-2-(3-chloro-4-fluorophenyl)sulfonylbutanoic acid
CID 64695885
3-(2,4-difluorophenyl)sulfonylbutanoic acid
CID 43536511

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid?
The IUPAC name of 3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid (CID 64695884) is 3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid.
What is the SMILES notation for 3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid?
The canonical SMILES for 3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid is NCC(C(=O)O)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid?
The InChIKey is FCYHNLUXXRPOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4S/c10-5-1-2-6(11)7(3-5)17(15,16)8(4-12)9(13)14/h1-3,8H,4,12H2,(H,13,14).
What are the key properties of 3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid?
3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid has a molecular weight of 265.24 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,5-difluorophenyl)sulfonylpropanoic acid is sourced from PubChem (CID 64695884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).