4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide

C18H19F3N2O3S — CID 170764846

IUPAC4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H19F3N2O3S/c19-18(20,21)26-16-8-6-15(7-9-16)23-27(24,25)17(10-12-22-13-11-17)14-4-2-1-3-5-14/h1-9,22-23H,10-13H2
InChIKeyBZESOJGSRYWSEE-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.61
Rot. Bonds5

About 4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide

4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide (PubChem CID 170764846) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide
PubChem CID170764846
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C18H19F3N2O3S/c19-18(20,21)26-16-8-6-15(7-9-16)23-27(24,25)17(10-12-22-13-11-17)14-4-2-1-3-5-14/h1-9,22-23H,10-13H2
InChIKeyBZESOJGSRYWSEE-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]propane-2-sulfonamide
CID 62999818
3-methylsulfonyl-3-phenylpyrrolidine
CID 166000900
N-(4-methylpiperidin-4-yl)-4-(trifluoromethoxy)benzamide;hydrochloride
CID 120567149
2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 66742759
trifluoromethoxybenzene
CID 157402708
N-tert-butyl-1-phenylcyclopropane-1-sulfonamide
CID 134204354
4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
CID 16656274
N-chloro-1-phenylmethanamine;2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane
CID 157288850
1-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 152515013
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
3-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 141316101
[4-(trifluoromethoxy)phenyl] benzenesulfonate
CID 174480543

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide?
The IUPAC name of 4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide (CID 170764846) is 4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide.
What is the SMILES notation for 4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide?
The canonical SMILES for 4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccccc2)CCNCC1.
What is the InChIKey of 4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide?
The InChIKey is BZESOJGSRYWSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c19-18(20,21)26-16-8-6-15(7-9-16)23-27(24,25)17(10-12-22-13-11-17)14-4-2-1-3-5-14/h1-9,22-23H,10-13H2.
What are the key properties of 4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide?
4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide has a molecular weight of 400.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-sulfonamide is sourced from PubChem (CID 170764846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).