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

C15H22FNO3S — CID 82765028

IUPACN-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)c2ccccc2F)CCO1
InChIInChI=1S/C15H22FNO3S/c1-3-15(4-2)11-12(9-10-20-15)17-21(18,19)14-8-6-5-7-13(14)16/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyBBZPSSRRWLPICX-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.84
Rot. Bonds5

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

N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide (PubChem CID 82765028) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide
PubChem CID82765028
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC NameN-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)c2ccccc2F)CCO1
InChIInChI=1S/C15H22FNO3S/c1-3-15(4-2)11-12(9-10-20-15)17-21(18,19)14-8-6-5-7-13(14)16/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyBBZPSSRRWLPICX-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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide (CID 82765028) is N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide is CCC1(CC)CC(NS(=O)(=O)c2ccccc2F)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide?
The InChIKey is BBZPSSRRWLPICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-3-15(4-2)11-12(9-10-20-15)17-21(18,19)14-8-6-5-7-13(14)16/h5-8,12,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-(2,2-diethyloxan-4-yl)-2-fluorobenzenesulfonamide?
N-(2,2-diethyloxan-4-yl)-2-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)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 82765028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).