(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid

C12H14F3NO4S — CID 104935432

IUPAC(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C12H14F3NO4S/c1-2-4-10(11(17)18)16-21(19,20)9-6-3-5-8(7-9)12(13,14)15/h3,5-7,10,16H,2,4H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyYKTFUBPLDVHNOX-SNVBAGLBSA-N
MW325.31 g/mol
LogP2.24
Rot. Bonds6

About (2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid

(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid (PubChem CID 104935432) has the molecular formula C12H14F3NO4S and a molecular weight of 325.31 g/mol. Its IUPAC name is (2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
PubChem CID104935432
Molecular FormulaC12H14F3NO4S
Molecular Weight325.31 g/mol
Exact Mass325.06
IUPAC Name(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C12H14F3NO4S/c1-2-4-10(11(17)18)16-21(19,20)9-6-3-5-8(7-9)12(13,14)15/h3,5-7,10,16H,2,4H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyYKTFUBPLDVHNOX-SNVBAGLBSA-N
XLogP2.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 3485177
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
2-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537664
2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid
CID 43631243
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2S,3R)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 2341191
N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 80697787
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
(2S)-2-[(3-methylphenyl)sulfonylamino]pentanedioic acid
CID 2422440
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid?
The IUPAC name of (2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid (CID 104935432) is (2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid is CCC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid?
The InChIKey is YKTFUBPLDVHNOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14F3NO4S/c1-2-4-10(11(17)18)16-21(19,20)9-6-3-5-8(7-9)12(13,14)15/h3,5-7,10,16H,2,4H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid?
(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid has a molecular weight of 325.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid is sourced from PubChem (CID 104935432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).