N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide

C20H25FN2O2S — CID 16887830

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25FN2O2S/c21-20-9-5-4-8-19(20)16-26(24,25)22-14-17-10-12-23(13-11-17)15-18-6-2-1-3-7-18/h1-9,17,22H,10-16H2
InChIKeyUBVWVKYQOUFTOB-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.16
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 16887830) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID16887830
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25FN2O2S/c21-20-9-5-4-8-19(20)16-26(24,25)22-14-17-10-12-23(13-11-17)15-18-6-2-1-3-7-18/h1-9,17,22H,10-16H2
InChIKeyUBVWVKYQOUFTOB-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.16
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]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide (CID 16887830) is N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccccc1F)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is UBVWVKYQOUFTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c21-20-9-5-4-8-19(20)16-26(24,25)22-14-17-10-12-23(13-11-17)15-18-6-2-1-3-7-18/h1-9,17,22H,10-16H2.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 3.16, 7 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]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 16887830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).