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

C11H11F2NO6S — CID 61144143

IUPAC(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid
SMILESO=C(O)CC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C11H11F2NO6S/c12-6-3-7(13)5-8(4-6)21(19,20)14-9(11(17)18)1-2-10(15)16/h3-5,9,14H,1-2H2,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyRLXXTKQNEDQCSF-VIFPVBQESA-N
MW323.27 g/mol
LogP0.56
Rot. Bonds7

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

(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid (PubChem CID 61144143) has the molecular formula C11H11F2NO6S and a molecular weight of 323.27 g/mol. Its IUPAC name is (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid
PubChem CID61144143
Molecular FormulaC11H11F2NO6S
Molecular Weight323.27 g/mol
Exact Mass323.03
IUPAC Name(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid
SMILESO=C(O)CC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C11H11F2NO6S/c12-6-3-7(13)5-8(4-6)21(19,20)14-9(11(17)18)1-2-10(15)16/h3-5,9,14H,1-2H2,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyRLXXTKQNEDQCSF-VIFPVBQESA-N
XLogP0.56
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 61141715
(2S)-2-[(2,4-difluorophenyl)sulfonylamino]pentanedioic acid
CID 61144131
(2S)-2-[(4-bromophenyl)sulfonylamino]pentanedioic acid
CID 25198912
(2S)-2-[(3-methylphenyl)sulfonylamino]pentanedioic acid
CID 2422440
2-[(3-bromo-4-chlorophenyl)sulfonylamino]pentanedioic acid
CID 106605240
(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid
CID 25138182
2-[(3-chloro-5-fluorophenyl)sulfonylamino]-4,4-difluorobutanoic acid
CID 154742191
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2S)-2-[(3,5-difluorophenyl)carbamoylamino]pentanedioic acid
CID 61189405
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
(2S)-5-amino-2-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104934647

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid (CID 61144143) is (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid is O=C(O)CC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid?
The InChIKey is RLXXTKQNEDQCSF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11F2NO6S/c12-6-3-7(13)5-8(4-6)21(19,20)14-9(11(17)18)1-2-10(15)16/h3-5,9,14H,1-2H2,(H,15,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid?
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid has a molecular weight of 323.27 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanedioic acid is sourced from PubChem (CID 61144143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).