N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide

C20H23FN2O3S — CID 39661741

IUPACN-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1C
InChIInChI=1S/C20H23FN2O3S/c1-14-7-8-17(13-15(14)2)27(25,26)23-11-9-16(10-12-23)22-20(24)18-5-3-4-6-19(18)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyLUKHZDMTCPRPKW-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide

N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide (PubChem CID 39661741) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
PubChem CID39661741
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1C
InChIInChI=1S/C20H23FN2O3S/c1-14-7-8-17(13-15(14)2)27(25,26)23-11-9-16(10-12-23)22-20(24)18-5-3-4-6-19(18)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyLUKHZDMTCPRPKW-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N'-(2-fluorobenzoyl)piperidine-4-carbohydrazide
CID 26893734
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218818
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
4-(dimethylamino)-N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562803
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 24655315
ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823231
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide (CID 39661741) is N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide?
The InChIKey is LUKHZDMTCPRPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14-7-8-17(13-15(14)2)27(25,26)23-11-9-16(10-12-23)22-20(24)18-5-3-4-6-19(18)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide?
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide has a molecular weight of 390.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 39661741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).