N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide

C15H22FNO3S — CID 82764891

IUPACN-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H22FNO3S/c1-3-15(4-2)11-13(9-10-20-15)17-21(18,19)14-7-5-12(16)6-8-14/h5-8,13,17H,3-4,9-11H2,1-2H3
InChIKeyFBYIVJDNCDOFNT-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.84
Rot. Bonds5

About N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide

N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 82764891) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide
PubChem CID82764891
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC NameN-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H22FNO3S/c1-3-15(4-2)11-13(9-10-20-15)17-21(18,19)14-7-5-12(16)6-8-14/h5-8,13,17H,3-4,9-11H2,1-2H3
InChIKeyFBYIVJDNCDOFNT-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide 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

N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-methylbenzenesulfonamide
CID 650352
3-Fluoro-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 110875683
Benzene-1,4-disulfonic acid 1-[(2,2-dimethyl-tetrahydro-pyran-4-yl)-amide] 4-(isobutyl-amide)
CID 3226736
N4-(2,2-Dimethyloxan-4-YL)-N1,N1-dimethylbenzene-1,4-disulfonamide
CID 3226739
2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210333
5-fluoro-N-[trans-4-methoxytetrahydro-2H-pyran-3-yl]-2-methylbenzenesulfonamide
CID 91797879
4-Fluoro-3-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 110736432
N-[2-(3-fluoro-5,5-dimethyloxan-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 177851398
N-[3-(2-ethylhexoxy)propyl]-3,4-difluorobenzenesulfonamide
CID 3314832
N-(1-cyclohexyl-3-hydroxypropan-2-yl)-2-fluorobenzenesulfonamide
CID 21078764
N-[(2S)-1-cyclohexyl-3-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
CID 68543368
3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide
CID 126505667

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide (CID 82764891) is N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide is CCC1(CC)CC(NS(=O)(=O)c2ccc(F)cc2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is FBYIVJDNCDOFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-3-15(4-2)11-13(9-10-20-15)17-21(18,19)14-7-5-12(16)6-8-14/h5-8,13,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide?
N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 82764891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).