4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide

C14H18ClFN2O3S — CID 146336705

IUPAC4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide
SMILESCCS(=O)(=O)N1CCCC(NC(=O)c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C14H18ClFN2O3S/c1-2-22(20,21)18-7-3-4-11(9-18)17-14(19)10-5-6-12(15)13(16)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyZOPAUPLXILTAOY-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.02
Rot. Bonds4

About 4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide

4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide (PubChem CID 146336705) has the molecular formula C14H18ClFN2O3S and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide
PubChem CID146336705
Molecular FormulaC14H18ClFN2O3S
Molecular Weight348.83 g/mol
Exact Mass348.07
IUPAC Name4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide
SMILESCCS(=O)(=O)N1CCCC(NC(=O)c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C14H18ClFN2O3S/c1-2-22(20,21)18-7-3-4-11(9-18)17-14(19)10-5-6-12(15)13(16)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19)
InChIKeyZOPAUPLXILTAOY-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 9264502
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 63185168
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide?
The IUPAC name of 4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide (CID 146336705) is 4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide?
The canonical SMILES for 4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide is CCS(=O)(=O)N1CCCC(NC(=O)c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide?
The InChIKey is ZOPAUPLXILTAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3S/c1-2-22(20,21)18-7-3-4-11(9-18)17-14(19)10-5-6-12(15)13(16)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H,17,19).
What are the key properties of 4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide?
4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide has a molecular weight of 348.83 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethylsulfonylpiperidin-3-yl)-3-fluorobenzamide is sourced from PubChem (CID 146336705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).