3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide

C25H25FN2O3S — CID 3436224

IUPAC3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C25H25FN2O3S/c26-22-9-11-23(12-10-22)27-25(29)21-7-4-8-24(18-21)32(30,31)28-15-13-20(14-16-28)17-19-5-2-1-3-6-19/h1-12,18,20H,13-17H2,(H,27,29)
InChIKeySBJDRHRGJBUVQW-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.72
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide

3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide (PubChem CID 3436224) has the molecular formula C25H25FN2O3S and a molecular weight of 452.55 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
PubChem CID3436224
Molecular FormulaC25H25FN2O3S
Molecular Weight452.55 g/mol
Exact Mass452.16
IUPAC Name3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C25H25FN2O3S/c26-22-9-11-23(12-10-22)27-25(29)21-7-4-8-24(18-21)32(30,31)28-15-13-20(14-16-28)17-19-5-2-1-3-6-19/h1-12,18,20H,13-17H2,(H,27,29)
InChIKeySBJDRHRGJBUVQW-UHFFFAOYSA-N
XLogP4.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
N-(3-ethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 42965111
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
(3,5-dibromo-4-chlorophenyl)methyl 3-(4-benzylpiperidin-1-yl)sulfonylbenzoate
CID 166346000
N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26906391
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
N-(4-acetamidophenyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43924269
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 19257226
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide (CID 3436224) is 3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide?
The InChIKey is SBJDRHRGJBUVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3S/c26-22-9-11-23(12-10-22)27-25(29)21-7-4-8-24(18-21)32(30,31)28-15-13-20(14-16-28)17-19-5-2-1-3-6-19/h1-12,18,20H,13-17H2,(H,27,29).
What are the key properties of 3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide?
3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide has a molecular weight of 452.55 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 3436224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).