N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide

C20H23F3N2O2S — CID 3232198

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N2O2S/c21-20(22,23)18-8-4-5-9-19(18)28(26,27)24-14-16-10-12-25(13-11-16)15-17-6-2-1-3-7-17/h1-9,16,24H,10-15H2
InChIKeyWHFPKXSLGQPSFC-UHFFFAOYSA-N
MW412.48 g/mol
LogP3.90
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 3232198) has the molecular formula C20H23F3N2O2S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID3232198
Molecular FormulaC20H23F3N2O2S
Molecular Weight412.48 g/mol
Exact Mass412.14
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H23F3N2O2S/c21-20(22,23)18-8-4-5-9-19(18)28(26,27)24-14-16-10-12-25(13-11-16)15-17-6-2-1-3-7-17/h1-9,16,24H,10-15H2
InChIKeyWHFPKXSLGQPSFC-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 3232198) is N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WHFPKXSLGQPSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2S/c21-20(22,23)18-8-4-5-9-19(18)28(26,27)24-14-16-10-12-25(13-11-16)15-17-6-2-1-3-7-17/h1-9,16,24H,10-15H2.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 412.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3232198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).