4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide

C20H21FN2O4S — CID 32507574

IUPAC4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H21FN2O4S/c1-28(26,27)18-4-2-3-15(13-18)20(25)23-11-9-17(10-12-23)22-19(24)14-5-7-16(21)8-6-14/h2-8,13,17H,9-12H2,1H3,(H,22,24)
InChIKeyATRXKNLACLDXLG-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.26
Rot. Bonds4

About 4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide

4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 32507574) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is 4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
PubChem CID32507574
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H21FN2O4S/c1-28(26,27)18-4-2-3-15(13-18)20(25)23-11-9-17(10-12-23)22-19(24)14-5-7-16(21)8-6-14/h2-8,13,17H,9-12H2,1H3,(H,22,24)
InChIKeyATRXKNLACLDXLG-UHFFFAOYSA-N
XLogP2.26
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
[4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 60819092
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
N-(azetidin-3-yl)-3-methylsulfonylbenzamide
CID 66186520
1-(3-methylsulfonylbenzoyl)piperidin-4-one
CID 22397490
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508392
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
4-fluoro-N-[1-[4-(methylamino)-3-nitrobenzoyl]piperidin-4-yl]benzamide
CID 32507530

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide (CID 32507574) is 4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide is CS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is ATRXKNLACLDXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-28(26,27)18-4-2-3-15(13-18)20(25)23-11-9-17(10-12-23)22-19(24)14-5-7-16(21)8-6-14/h2-8,13,17H,9-12H2,1H3,(H,22,24).
What are the key properties of 4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide?
4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 404.46 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(3-methylsulfonylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 32507574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).