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

C12H15F2NO4S — CID 78975684

IUPAC(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)O
InChIInChI=1S/C12H15F2NO4S/c1-7(2)6-10(12(16)17)15-20(18,19)11-8(13)4-3-5-9(11)14/h3-5,7,10,15H,6H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyIIGHSDKFBXXTLM-SNVBAGLBSA-N
MW307.32 g/mol
LogP1.74
Rot. Bonds6

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

(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 78975684) has the molecular formula C12H15F2NO4S and a molecular weight of 307.32 g/mol. Its IUPAC name is (2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID78975684
Molecular FormulaC12H15F2NO4S
Molecular Weight307.32 g/mol
Exact Mass307.07
IUPAC Name(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)O
InChIInChI=1S/C12H15F2NO4S/c1-7(2)6-10(12(16)17)15-20(18,19)11-8(13)4-3-5-9(11)14/h3-5,7,10,15H,6H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyIIGHSDKFBXXTLM-SNVBAGLBSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062
4-methyl-2-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]pentanoic acid
CID 122069952
(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935044
(2R)-2-[(6-chloro-2,3-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 122069300
(2S)-2-[(3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 30049594
2-[(4-fluoro-1H-indol-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 122069969
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
(2R)-2-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 122069288
(2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 7061989
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 43361242
(2S)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanoic acid
CID 61155878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid (CID 78975684) is (2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is IIGHSDKFBXXTLM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15F2NO4S/c1-7(2)6-10(12(16)17)15-20(18,19)11-8(13)4-3-5-9(11)14/h3-5,7,10,15H,6H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid?
(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 307.32 g/mol, XLogP of 1.74, 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-difluorophenyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 78975684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).