1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide

C14H19F2NO2S — CID 126795757

IUPAC1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide
SMILESCCC1(CNS(=O)(=O)Cc2c(F)cccc2F)CCC1
InChIInChI=1S/C14H19F2NO2S/c1-2-14(7-4-8-14)10-17-20(18,19)9-11-12(15)5-3-6-13(11)16/h3,5-6,17H,2,4,7-10H2,1H3
InChIKeySBXOUQBBOYAYAG-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.96
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide

1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide (PubChem CID 126795757) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide
PubChem CID126795757
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide
SMILESCCC1(CNS(=O)(=O)Cc2c(F)cccc2F)CCC1
InChIInChI=1S/C14H19F2NO2S/c1-2-14(7-4-8-14)10-17-20(18,19)9-11-12(15)5-3-6-13(11)16/h3,5-6,17H,2,4,7-10H2,1H3
InChIKeySBXOUQBBOYAYAG-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide
CID 138997292
1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide
CID 103830233
1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 114108020
2-(chloromethyl)-N-[(1-ethylcyclobutyl)methyl]benzenesulfonamide
CID 114264441
4-amino-N-[(1-ethylcyclopentyl)methyl]butane-1-sulfonamide
CID 114124982
1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680411
1-ethyl-1-[(sulfamoylamino)methyl]cyclopentane
CID 71918763
N-[(1-ethylcyclobutyl)methyl]-2-methylsulfonylaniline
CID 103741798
1-(2-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanesulfonamide;hydrochloride
CID 120896382
N-[(1-ethylcyclobutyl)methyl]-5-formylfuran-2-sulfonamide
CID 114109779
4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
CID 103737613
4-amino-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
CID 114099078

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide (CID 126795757) is 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide is CCC1(CNS(=O)(=O)Cc2c(F)cccc2F)CCC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide?
The InChIKey is SBXOUQBBOYAYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-2-14(7-4-8-14)10-17-20(18,19)9-11-12(15)5-3-6-13(11)16/h3,5-6,17H,2,4,7-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide?
1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide has a molecular weight of 303.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanesulfonamide is sourced from PubChem (CID 126795757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).