N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide

C22H25F3N2O4S — CID 24979465

IUPACN,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc1
InChIInChI=1S/C22H25F3N2O4S/c1-16-5-11-20(12-6-16)32(29,30)26(2)18-7-9-19(10-8-18)31-15-21(28)27-13-3-4-17(14-27)22(23,24)25/h5-12,17H,3-4,13-15H2,1-2H3
InChIKeyBLJDZIITPSFKEK-UHFFFAOYSA-N
MW470.51 g/mol
LogP4.00
Rot. Bonds6

About N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide

N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide (PubChem CID 24979465) has the molecular formula C22H25F3N2O4S and a molecular weight of 470.51 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide
PubChem CID24979465
Molecular FormulaC22H25F3N2O4S
Molecular Weight470.51 g/mol
Exact Mass470.15
IUPAC NameN,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc1
InChIInChI=1S/C22H25F3N2O4S/c1-16-5-11-20(12-6-16)32(29,30)26(2)18-7-9-19(10-8-18)31-15-21(28)27-13-3-4-17(14-27)22(23,24)25/h5-12,17H,3-4,13-15H2,1-2H3
InChIKeyBLJDZIITPSFKEK-UHFFFAOYSA-N
XLogP4.00
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide (CID 24979465) is N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCCC(C(F)(F)F)C3)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide?
The InChIKey is BLJDZIITPSFKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4S/c1-16-5-11-20(12-6-16)32(29,30)26(2)18-7-9-19(10-8-18)31-15-21(28)27-13-3-4-17(14-27)22(23,24)25/h5-12,17H,3-4,13-15H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide?
N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide has a molecular weight of 470.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 24979465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).