1,1-difluoro-N-methylpent-2-ene-1-sulfonamide

C6H10F2NO2S- — CID 91325729

IUPAC1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
SMILESCC/C=[C-]/C(F)(F)S(=O)(=O)NC
InChIInChI=1S/C6H10F2NO2S/c1-3-4-5-6(7,8)12(10,11)9-2/h4,9H,3H2,1-2H3/q-1
InChIKeyXCRUGULXSATQLC-UHFFFAOYSA-N
MW198.21 g/mol
LogP0.90
Rot. Bonds4

About 1,1-difluoro-N-methylpent-2-ene-1-sulfonamide

1,1-difluoro-N-methylpent-2-ene-1-sulfonamide (PubChem CID 91325729) has the molecular formula C6H10F2NO2S- and a molecular weight of 198.21 g/mol. Its IUPAC name is 1,1-difluoro-N-methylpent-2-ene-1-sulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
PubChem CID91325729
Molecular FormulaC6H10F2NO2S-
Molecular Weight198.21 g/mol
Exact Mass198.04
IUPAC Name1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
SMILESCC/C=[C-]/C(F)(F)S(=O)(=O)NC
InChIInChI=1S/C6H10F2NO2S/c1-3-4-5-6(7,8)12(10,11)9-2/h4,9H,3H2,1-2H3/q-1
InChIKeyXCRUGULXSATQLC-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
CID 91325730
(Z)-N-methylhex-3-ene-3-sulfonamide
CID 89044993
N-methylhex-3-ene-3-sulfonamide
CID 174821072

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methylpent-2-ene-1-sulfonamide?
The IUPAC name of 1,1-difluoro-N-methylpent-2-ene-1-sulfonamide (CID 91325729) is 1,1-difluoro-N-methylpent-2-ene-1-sulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methylpent-2-ene-1-sulfonamide?
The canonical SMILES for 1,1-difluoro-N-methylpent-2-ene-1-sulfonamide is CC/C=[C-]/C(F)(F)S(=O)(=O)NC.
What is the InChIKey of 1,1-difluoro-N-methylpent-2-ene-1-sulfonamide?
The InChIKey is XCRUGULXSATQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2NO2S/c1-3-4-5-6(7,8)12(10,11)9-2/h4,9H,3H2,1-2H3/q-1.
What are the key properties of 1,1-difluoro-N-methylpent-2-ene-1-sulfonamide?
1,1-difluoro-N-methylpent-2-ene-1-sulfonamide has a molecular weight of 198.21 g/mol, XLogP of 0.90, 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-methylpent-2-ene-1-sulfonamide is sourced from PubChem (CID 91325729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).