N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide

C19H21FN2O3S — CID 3218818

IUPACN-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-5-2-3-8-18(14)19(23)21-16-9-11-22(12-10-16)26(24,25)17-7-4-6-15(20)13-17/h2-8,13,16H,9-12H2,1H3,(H,21,23)
InChIKeyILIPYOTZSXRLMW-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide

N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide (PubChem CID 3218818) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
PubChem CID3218818
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H21FN2O3S/c1-14-5-2-3-8-18(14)19(23)21-16-9-11-22(12-10-16)26(24,25)17-7-4-6-15(20)13-17/h2-8,13,16H,9-12H2,1H3,(H,21,23)
InChIKeyILIPYOTZSXRLMW-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
CID 91903795
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 35398779
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide (CID 3218818) is N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide?
The InChIKey is ILIPYOTZSXRLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-5-2-3-8-18(14)19(23)21-16-9-11-22(12-10-16)26(24,25)17-7-4-6-15(20)13-17/h2-8,13,16H,9-12H2,1H3,(H,21,23).
What are the key properties of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide?
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide has a molecular weight of 376.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 3218818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).