4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide

C18H19F3N2O3S — CID 24951735

IUPAC4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(Oc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O3S/c19-18(20,21)16-12-15(26-14-4-2-1-3-5-14)6-7-17(16)27(24,25)23-13-8-10-22-11-9-13/h1-7,12-13,22-23H,8-11H2
InChIKeyGHCGIRSEQDSTEV-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.53
Rot. Bonds5

About 4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide

4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24951735) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24951735
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(Oc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O3S/c19-18(20,21)16-12-15(26-14-4-2-1-3-5-14)6-7-17(16)27(24,25)23-13-8-10-22-11-9-13/h1-7,12-13,22-23H,8-11H2
InChIKeyGHCGIRSEQDSTEV-UHFFFAOYSA-N
XLogP3.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide (CID 24951735) is 4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCNCC1)c1ccc(Oc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of 4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GHCGIRSEQDSTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c19-18(20,21)16-12-15(26-14-4-2-1-3-5-14)6-7-17(16)27(24,25)23-13-8-10-22-11-9-13/h1-7,12-13,22-23H,8-11H2.
What are the key properties of 4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide?
4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 400.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24951735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).