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

C14H20FNO3S — CID 91905221

IUPAC4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCOCC2)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-11-9-13(3-4-14(11)15)20(17,18)16(2)10-12-5-7-19-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyJGZODZOYWAJOQW-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.18
Rot. Bonds4

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

4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 91905221) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID91905221
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCOCC2)ccc1F
InChIInChI=1S/C14H20FNO3S/c1-11-9-13(3-4-14(11)15)20(17,18)16(2)10-12-5-7-19-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyJGZODZOYWAJOQW-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 91905221) is 4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CC2CCOCC2)ccc1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is JGZODZOYWAJOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-11-9-13(3-4-14(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 4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
4-fluoro-N,3-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 4-fluoro-N,3-dimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 91905221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).