3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide

C17H26FNO4S — CID 126793109

IUPAC3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1
InChIInChI=1S/C17H26FNO4S/c1-4-17(3,5-2)19-24(20,21)14-6-7-16(15(18)12-14)23-13-8-10-22-11-9-13/h6-7,12-13,19H,4-5,8-11H2,1-3H3
InChIKeyILWWIZGUKZURSS-UHFFFAOYSA-N
MW359.46 g/mol
LogP3.24
Rot. Bonds7

About 3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide

3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide (PubChem CID 126793109) has the molecular formula C17H26FNO4S and a molecular weight of 359.46 g/mol. Its IUPAC name is 3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide
PubChem CID126793109
Molecular FormulaC17H26FNO4S
Molecular Weight359.46 g/mol
Exact Mass359.16
IUPAC Name3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1
InChIInChI=1S/C17H26FNO4S/c1-4-17(3,5-2)19-24(20,21)14-6-7-16(15(18)12-14)23-13-8-10-22-11-9-13/h6-7,12-13,19H,4-5,8-11H2,1-3H3
InChIKeyILWWIZGUKZURSS-UHFFFAOYSA-N
XLogP3.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide (CID 126793109) is 3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1ccc(OC2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide?
The InChIKey is ILWWIZGUKZURSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO4S/c1-4-17(3,5-2)19-24(20,21)14-6-7-16(15(18)12-14)23-13-8-10-22-11-9-13/h6-7,12-13,19H,4-5,8-11H2,1-3H3.
What are the key properties of 3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide?
3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide has a molecular weight of 359.46 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methylpentan-3-yl)-4-(oxan-4-yloxy)benzenesulfonamide is sourced from PubChem (CID 126793109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).