3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide

C13H18FNO3S — CID 110875737

IUPAC3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO3S/c1-15(10-11-5-7-18-8-6-11)19(16,17)13-4-2-3-12(14)9-13/h2-4,9,11H,5-8,10H2,1H3
InChIKeyTTZXSVKCRSANOX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.87
Rot. Bonds4

About 3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide

3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 110875737) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID110875737
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO3S/c1-15(10-11-5-7-18-8-6-11)19(16,17)13-4-2-3-12(14)9-13/h2-4,9,11H,5-8,10H2,1H3
InChIKeyTTZXSVKCRSANOX-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Fluorophenyl)sulfonyl]-4-methylpiperidine
CID 2843204
3-Chloro-4-fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 91905215
N-Methyl-N-[(oxan-4-YL)methyl]-4-(trifluoromethyl)benzene-1-sulfonamide
CID 91905233
N-Methyl-N-[(oxan-4-YL)methyl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 91905256
3,5-Difluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91905706
4-Fluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915417
3-Fluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915437
2-Fluoro-N-methyl-N-[(oxolan-3-YL)methyl]benzene-1-sulfonamide
CID 102554906
3-Fluoro-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 110875683
Ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 695498
2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210333
4-Fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 63713192

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 110875737) is 3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is CN(CC1CCOCC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is TTZXSVKCRSANOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-15(10-11-5-7-18-8-6-11)19(16,17)13-4-2-3-12(14)9-13/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110875737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).