4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide

C18H18F2N2O3S — CID 26594011

IUPAC4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H18F2N2O3S/c19-14-5-7-15(8-6-14)21-18(23)13-4-9-16(20)17(12-13)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyQNLFTUKQGNFSNV-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.39
Rot. Bonds4

About 4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide

4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26594011) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26594011
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H18F2N2O3S/c19-14-5-7-15(8-6-14)21-18(23)13-4-9-16(20)17(12-13)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23)
InChIKeyQNLFTUKQGNFSNV-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55961764

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 26594011) is 4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(F)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QNLFTUKQGNFSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c19-14-5-7-15(8-6-14)21-18(23)13-4-9-16(20)17(12-13)26(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,21,23).
What are the key properties of 4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 380.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26594011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).