2-(difluoromethylsulfonylamino)pentanoic acid

C6H11F2NO4S — CID 43631252

IUPAC2-(difluoromethylsulfonylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C6H11F2NO4S/c1-2-3-4(5(10)11)9-14(12,13)6(7)8/h4,6,9H,2-3H2,1H3,(H,10,11)
InChIKeyBCFCWPXAKZGZDK-UHFFFAOYSA-N
MW231.22 g/mol
LogP0.38
Rot. Bonds6

About 2-(difluoromethylsulfonylamino)pentanoic acid

2-(difluoromethylsulfonylamino)pentanoic acid (PubChem CID 43631252) has the molecular formula C6H11F2NO4S and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)pentanoic acid
PubChem CID43631252
Molecular FormulaC6H11F2NO4S
Molecular Weight231.22 g/mol
Exact Mass231.04
IUPAC Name2-(difluoromethylsulfonylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C6H11F2NO4S/c1-2-3-4(5(10)11)9-14(12,13)6(7)8/h4,6,9H,2-3H2,1H3,(H,10,11)
InChIKeyBCFCWPXAKZGZDK-UHFFFAOYSA-N
XLogP0.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-trifluoromethanesulfonyl leucine
CID 61156557
2-Methanesulfonamido-4-methylpentanoic acid
CID 4961715
4-Methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 5247422
3-Methyl-2-(trifluoromethylsulfonylamino)butanoic acid
CID 22359370
2-(Trifluoromethylsulfonylamino)propanoic acid
CID 43361292
3-Methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 43361323
(2S)-6-amino-2-(trifluoromethylsulfonylamino)hexanoic acid
CID 54324263
((Trifluoromethyl)sulfonyl)-L-valine
CID 54356532
(2S)-2-(trifluoromethanesulfonamido)propanoic acid
CID 61131271
N-(Trifluoromethylsulfonyl)-L-isoleucine
CID 61136297
(2S)-3-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 61173473
(2S)-2-(trifluoromethylsulfonylamino)butanoic acid
CID 81671204

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)pentanoic acid?
The IUPAC name of 2-(difluoromethylsulfonylamino)pentanoic acid (CID 43631252) is 2-(difluoromethylsulfonylamino)pentanoic acid.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)pentanoic acid?
The canonical SMILES for 2-(difluoromethylsulfonylamino)pentanoic acid is CCCC(NS(=O)(=O)C(F)F)C(=O)O.
What is the InChIKey of 2-(difluoromethylsulfonylamino)pentanoic acid?
The InChIKey is BCFCWPXAKZGZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO4S/c1-2-3-4(5(10)11)9-14(12,13)6(7)8/h4,6,9H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(difluoromethylsulfonylamino)pentanoic acid?
2-(difluoromethylsulfonylamino)pentanoic acid has a molecular weight of 231.22 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 43631252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).