3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide

C15H21FN2O3S — CID 126505667

IUPAC3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide
SMILESCN(C1COC2(CCNCC2)C1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-18(22(19,20)14-4-2-3-12(16)9-14)13-10-15(21-11-13)5-7-17-8-6-15/h2-4,9,13,17H,5-8,10-11H2,1H3
InChIKeyJQYQSWQYQVEWCW-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.36
Rot. Bonds3

About 3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide

3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide (PubChem CID 126505667) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide
PubChem CID126505667
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide
SMILESCN(C1COC2(CCNCC2)C1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-18(22(19,20)14-4-2-3-12(16)9-14)13-10-15(21-11-13)5-7-17-8-6-15/h2-4,9,13,17H,5-8,10-11H2,1H3
InChIKeyJQYQSWQYQVEWCW-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide (CID 126505667) is 3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide is CN(C1COC2(CCNCC2)C1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide?
The InChIKey is JQYQSWQYQVEWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-18(22(19,20)14-4-2-3-12(16)9-14)13-10-15(21-11-13)5-7-17-8-6-15/h2-4,9,13,17H,5-8,10-11H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide?
3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide has a molecular weight of 328.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)benzenesulfonamide is sourced from PubChem (CID 126505667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).