(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid

C12H14Cl2FNO4S — CID 122069288

IUPAC(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)O
InChIInChI=1S/C12H14Cl2FNO4S/c1-6(2)3-10(12(17)18)16-21(19,20)11-8(13)4-7(15)5-9(11)14/h4-6,10,16H,3H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyZYIBHWACIPLMAR-SNVBAGLBSA-N
MW358.22 g/mol
LogP2.91
Rot. Bonds6

About (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid

(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 122069288) has the molecular formula C12H14Cl2FNO4S and a molecular weight of 358.22 g/mol. Its IUPAC name is (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID122069288
Molecular FormulaC12H14Cl2FNO4S
Molecular Weight358.22 g/mol
Exact Mass357.00
IUPAC Name(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)O
InChIInChI=1S/C12H14Cl2FNO4S/c1-6(2)3-10(12(17)18)16-21(19,20)11-8(13)4-7(15)5-9(11)14/h4-6,10,16H,3H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyZYIBHWACIPLMAR-SNVBAGLBSA-N
XLogP2.91
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic 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

(2R)-2-[(6-chloro-2,3-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 122069300
(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149
4-methyl-2-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]pentanoic acid
CID 122069952
2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 122067838
(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 78975684
(2S)-2-[(3,5-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828970
(2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 30049594
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 3464013
2-[(2,4,6-trifluorophenyl)sulfonylamino]butanoic acid
CID 54881567
(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid
CID 112733165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid (CID 122069288) is (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is ZYIBHWACIPLMAR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14Cl2FNO4S/c1-6(2)3-10(12(17)18)16-21(19,20)11-8(13)4-7(15)5-9(11)14/h4-6,10,16H,3H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid?
(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 358.22 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122069288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).