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

C6H11F2NO2S — CID 91325730

IUPAC1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
SMILESCCC=CC(F)(F)S(=O)(=O)NC
InChIInChI=1S/C6H11F2NO2S/c1-3-4-5-6(7,8)12(10,11)9-2/h4-5,9H,3H2,1-2H3
InChIKeyBILYEFPYMAQCHW-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.09
Rot. Bonds4

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

1,1-difluoro-N-methylpent-2-ene-1-sulfonamide (PubChem CID 91325730) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 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 CID91325730
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
SMILESCCC=CC(F)(F)S(=O)(=O)NC
InChIInChI=1S/C6H11F2NO2S/c1-3-4-5-6(7,8)12(10,11)9-2/h4-5,9H,3H2,1-2H3
InChIKeyBILYEFPYMAQCHW-UHFFFAOYSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1,1-trifluoropropan-2-yl)pent-2-ene-3-sulfonamide
CID 91217457
1,1-difluoro-N-methylpent-2-ene-1-sulfonamide
CID 91325729
1,1,1-trifluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 116033428
1,1-difluoro-N-[(E)-pent-3-enyl]methanesulfonamide
CID 115628751
4,4,4-trifluoro-N-[(E)-pent-3-enyl]butane-1-sulfonamide
CID 115967652
(2Z,4Z)-3-fluoro-N-methylhepta-2,4-diene-2-sulfonamide
CID 141969935
5-fluoro-N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 144797853
(Z)-N-methylhex-3-ene-3-sulfonamide
CID 89044993
(Z)-N-methylhex-3-ene-1-sulfonamide
CID 135220046
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 91325730) 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 CCC=CC(F)(F)S(=O)(=O)NC.
What is the InChIKey of 1,1-difluoro-N-methylpent-2-ene-1-sulfonamide?
The InChIKey is BILYEFPYMAQCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-3-4-5-6(7,8)12(10,11)9-2/h4-5,9H,3H2,1-2H3.
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 199.22 g/mol, XLogP of 1.09, 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 91325730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).