N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide

C20H23FN2O4S — CID 3585656

IUPACN-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C20H23FN2O4S/c1-2-27-19-9-5-4-8-18(19)22-20(24)16-14-15(10-11-17(16)21)28(25,26)23-12-6-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,24)
InChIKeyUISBCHHTKIVYHG-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.65
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide

N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 3585656) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
PubChem CID3585656
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
InChIInChI=1S/C20H23FN2O4S/c1-2-27-19-9-5-4-8-18(19)22-20(24)16-14-15(10-11-17(16)21)28(25,26)23-12-6-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,24)
InChIKeyUISBCHHTKIVYHG-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-propoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26897896
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide
CID 6492315
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
1-(3-ethoxy-4-fluorophenyl)sulfonylazepane
CID 935230
N-(2-methoxyphenyl)-2-(methylamino)-5-piperidin-1-ylsulfonylbenzamide
CID 146301697
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3686444
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
5-(diethylsulfamoyl)-N-(2-ethoxyphenyl)-2-piperidin-1-ylbenzamide
CID 2540405

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide (CID 3585656) is N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide is CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F.
What is the InChIKey of N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UISBCHHTKIVYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-2-27-19-9-5-4-8-18(19)22-20(24)16-14-15(10-11-17(16)21)28(25,26)23-12-6-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,24).
What are the key properties of N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide?
N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 406.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3585656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).