1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide

C6H13F2NO2S — CID 87155234

IUPAC1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide
SMILESCC(C)CNS(=O)(=O)C(C)(F)F
InChIInChI=1S/C6H13F2NO2S/c1-5(2)4-9-12(10,11)6(3,7)8/h5,9H,4H2,1-3H3
InChIKeyDGRSUAJKNPHKLS-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.17
Rot. Bonds4

About 1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide

1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide (PubChem CID 87155234) has the molecular formula C6H13F2NO2S and a molecular weight of 201.24 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide
PubChem CID87155234
Molecular FormulaC6H13F2NO2S
Molecular Weight201.24 g/mol
Exact Mass201.06
IUPAC Name1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide
SMILESCC(C)CNS(=O)(=O)C(C)(F)F
InChIInChI=1S/C6H13F2NO2S/c1-5(2)4-9-12(10,11)6(3,7)8/h5,9H,4H2,1-3H3
InChIKeyDGRSUAJKNPHKLS-UHFFFAOYSA-N
XLogP1.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide (CID 87155234) is 1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide is CC(C)CNS(=O)(=O)C(C)(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide?
The InChIKey is DGRSUAJKNPHKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO2S/c1-5(2)4-9-12(10,11)6(3,7)8/h5,9H,4H2,1-3H3.
What are the key properties of 1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide?
1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide has a molecular weight of 201.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 87155234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).