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

C13H18FNO3S — CID 113336493

IUPACN-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccccc2F)CCO1
InChIInChI=1S/C13H18FNO3S/c1-13(2)9-10(7-8-18-13)15-19(16,17)12-6-4-3-5-11(12)14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyDYQLUEFCIMEBTN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.06
Rot. Bonds3

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

N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide (PubChem CID 113336493) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide
PubChem CID113336493
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccccc2F)CCO1
InChIInChI=1S/C13H18FNO3S/c1-13(2)9-10(7-8-18-13)15-19(16,17)12-6-4-3-5-11(12)14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyDYQLUEFCIMEBTN-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide (CID 113336493) is N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide is CC1(C)CC(NS(=O)(=O)c2ccccc2F)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide?
The InChIKey is DYQLUEFCIMEBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-13(2)9-10(7-8-18-13)15-19(16,17)12-6-4-3-5-11(12)14/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide?
N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 113336493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).