(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid

C11H13F2NO4S — CID 93252503

IUPAC(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C11H13F2NO4S/c1-2-3-10(11(15)16)14-19(17,18)9-5-7(12)4-8(13)6-9/h4-6,10,14H,2-3H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyBDRBCTAQJAMHGE-JTQLQIEISA-N
MW293.29 g/mol
LogP1.50
Rot. Bonds6

About (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid

(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid (PubChem CID 93252503) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
PubChem CID93252503
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C11H13F2NO4S/c1-2-3-10(11(15)16)14-19(17,18)9-5-7(12)4-8(13)6-9/h4-6,10,14H,2-3H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyBDRBCTAQJAMHGE-JTQLQIEISA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid
CID 61144143
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 61141715
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465
(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
CID 93331448
2-[(3,5-dimethylphenyl)sulfonylamino]hexanoic acid
CID 60640613
2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
CID 43631259
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid
CID 107564868
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 93252469

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid (CID 93252503) is (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid is CCC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid?
The InChIKey is BDRBCTAQJAMHGE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-2-3-10(11(15)16)14-19(17,18)9-5-7(12)4-8(13)6-9/h4-6,10,14H,2-3H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid?
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid has a molecular weight of 293.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 93252503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).