N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide

C11H20FNO2S — CID 174258151

IUPACN-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(C)CC(=CF)CC(C)C
InChIInChI=1S/C11H20FNO2S/c1-5-6-16(14,15)13(4)9-11(8-12)7-10(2)3/h5,8,10H,1,6-7,9H2,2-4H3
InChIKeyZHOXCMUARKBYPR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.33
Rot. Bonds7

About N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide

N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide (PubChem CID 174258151) has the molecular formula C11H20FNO2S and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide
PubChem CID174258151
Molecular FormulaC11H20FNO2S
Molecular Weight249.35 g/mol
Exact Mass249.12
IUPAC NameN-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(C)CC(=CF)CC(C)C
InChIInChI=1S/C11H20FNO2S/c1-5-6-16(14,15)13(4)9-11(8-12)7-10(2)3/h5,8,10H,1,6-7,9H2,2-4H3
InChIKeyZHOXCMUARKBYPR-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide?
The IUPAC name of N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide (CID 174258151) is N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(C)CC(=CF)CC(C)C.
What is the InChIKey of N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide?
The InChIKey is ZHOXCMUARKBYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2S/c1-5-6-16(14,15)13(4)9-11(8-12)7-10(2)3/h5,8,10H,1,6-7,9H2,2-4H3.
What are the key properties of N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide?
N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide has a molecular weight of 249.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(fluoromethylidene)-4-methylpentyl]-N-methylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 174258151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).