3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide

C20H25FN2O2S — CID 16887867

IUPAC3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(CCc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H25FN2O2S/c21-19-7-4-8-20(15-19)26(24,25)22-16-18-10-13-23(14-11-18)12-9-17-5-2-1-3-6-17/h1-8,15,18,22H,9-14,16H2
InChIKeySVCHEDHKHFJQOL-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.06
Rot. Bonds7

About 3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide

3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16887867) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16887867
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC Name3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(CCc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C20H25FN2O2S/c21-19-7-4-8-20(15-19)26(24,25)22-16-18-10-13-23(14-11-18)12-9-17-5-2-1-3-6-17/h1-8,15,18,22H,9-14,16H2
InChIKeySVCHEDHKHFJQOL-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887877
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887905
1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887899
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 16887771
3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624838
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16887867) is 3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(CCc2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is SVCHEDHKHFJQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c21-19-7-4-8-20(15-19)26(24,25)22-16-18-10-13-23(14-11-18)12-9-17-5-2-1-3-6-17/h1-8,15,18,22H,9-14,16H2.
What are the key properties of 3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide?
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16887867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).