2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid

C10H10F3NO4S — CID 54881567

IUPAC2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)O
InChIInChI=1S/C10H10F3NO4S/c1-2-8(10(15)16)14-19(17,18)9-6(12)3-5(11)4-7(9)13/h3-4,8,14H,2H2,1H3,(H,15,16)
InChIKeyTXXNOSDLAFIJGZ-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.25
Rot. Bonds5

About 2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid

2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid (PubChem CID 54881567) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is 2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid
PubChem CID54881567
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)O
InChIInChI=1S/C10H10F3NO4S/c1-2-8(10(15)16)14-19(17,18)9-6(12)3-5(11)4-7(9)13/h3-4,8,14H,2H2,1H3,(H,15,16)
InChIKeyTXXNOSDLAFIJGZ-UHFFFAOYSA-N
XLogP1.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanoic acid
CID 107326445
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
2,4,6-trifluoro-N-hex-5-yn-3-ylbenzenesulfonamide
CID 115650481
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
CID 43427428
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
2-[[(2,4,6-trifluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 65223007
(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 122069288
(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid
CID 82843747
(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 78975684
4-methyl-2-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]pentanoic acid
CID 122069952
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 61141715

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid?
The IUPAC name of 2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid (CID 54881567) is 2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid is CCC(NS(=O)(=O)c1c(F)cc(F)cc1F)C(=O)O.
What is the InChIKey of 2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid?
The InChIKey is TXXNOSDLAFIJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-2-8(10(15)16)14-19(17,18)9-6(12)3-5(11)4-7(9)13/h3-4,8,14H,2H2,1H3,(H,15,16).
What are the key properties of 2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid?
2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid has a molecular weight of 297.25 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 54881567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).