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

C12H16FNO3S — CID 110875683

IUPAC3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3S/c13-11-2-1-3-12(8-11)18(15,16)14-9-10-4-6-17-7-5-10/h1-3,8,10,14H,4-7,9H2
InChIKeyIUUTXARMFMOEPI-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.53
Rot. Bonds4

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

3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 110875683) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID110875683
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C12H16FNO3S/c13-11-2-1-3-12(8-11)18(15,16)14-9-10-4-6-17-7-5-10/h1-3,8,10,14H,4-7,9H2
InChIKeyIUUTXARMFMOEPI-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 110875683) is 3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is IUUTXARMFMOEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-11-2-1-3-12(8-11)18(15,16)14-9-10-4-6-17-7-5-10/h1-3,8,10,14H,4-7,9H2.
What are the key properties of 3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide?
3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110875683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).