N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide

C12H15F2NO2S — CID 78787057

IUPACN-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2S/c1-4-15(8-9(2)3)18(16,17)12-10(13)6-5-7-11(12)14/h5-7H,2,4,8H2,1,3H3
InChIKeyHEOLIDZZNCSYLY-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.55
Rot. Bonds5

About N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide

N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 78787057) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID78787057
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC NameN-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2S/c1-4-15(8-9(2)3)18(16,17)12-10(13)6-5-7-11(12)14/h5-7H,2,4,8H2,1,3H3
InChIKeyHEOLIDZZNCSYLY-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.55
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-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 78787057) is N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(CC)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is HEOLIDZZNCSYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-4-15(8-9(2)3)18(16,17)12-10(13)6-5-7-11(12)14/h5-7H,2,4,8H2,1,3H3.
What are the key properties of N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide?
N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 275.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 78787057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).