4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide

C13H18FNO3S — CID 60750571

IUPAC4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-15(10-12-4-2-3-9-18-12)19(16,17)13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3
InChIKeyZJOWRFNFYRQSRE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.02
Rot. Bonds4

About 4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide

4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide (PubChem CID 60750571) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
PubChem CID60750571
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c1-15(10-12-4-2-3-9-18-12)19(16,17)13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3
InChIKeyZJOWRFNFYRQSRE-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 61435824
4-amino-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 82843648
4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733234
4-bromo-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650249
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 102919764
3-amino-4-fluoro-N,5-dimethyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 115421434
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
3-fluoro-N-methyl-4-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82846972
4-[methyl-[[(2R)-oxan-2-yl]methyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 97109915
N-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733250
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide (CID 60750571) is 4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide is CN(CC1CCCCO1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZJOWRFNFYRQSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-15(10-12-4-2-3-9-18-12)19(16,17)13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide?
4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60750571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).