3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide

C14H20FNO3S — CID 91905243

IUPAC3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC2CCOCC2)cc1F
InChIInChI=1S/C14H20FNO3S/c1-11-3-4-13(9-14(11)15)20(17,18)16(2)10-12-5-7-19-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyWPIICQCPNZDQBS-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.18
Rot. Bonds4

About 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide

3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 91905243) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID91905243
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC2CCOCC2)cc1F
InChIInChI=1S/C14H20FNO3S/c1-11-3-4-13(9-14(11)15)20(17,18)16(2)10-12-5-7-19-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyWPIICQCPNZDQBS-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-((4-Methylphenyl)sulphonyl)morpholine
CID 80645
Ethyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate
CID 818681
3-(Toluene-4-sulfonyl)-[1,3]oxazinane
CID 959536
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
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
4-[4-(2-Methylpropyl)phenyl]sulfonylmorpholine
CID 4144026
2,6-Dimethyl-4-[(4-methylphenyl)sulfonyl]morpholine
CID 2832225
1-[(4-Methylphenyl)sulfonyl]-3-(trifluoromethyl)piperidine
CID 2929930

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 91905243) is 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is WPIICQCPNZDQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-11-3-4-13(9-14(11)15)20(17,18)16(2)10-12-5-7-19-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 91905243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).