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

C19H21FN2O3S — CID 3218814

IUPACN-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O3S/c1-14-5-4-6-15(13-14)19(23)21-16-9-11-22(12-10-16)26(24,25)18-8-3-2-7-17(18)20/h2-8,13,16H,9-12H2,1H3,(H,21,23)
InChIKeyLAWJWUYJEIMHNS-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.72
Rot. Bonds4

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

N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide (PubChem CID 3218814) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
PubChem CID3218814
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C19H21FN2O3S/c1-14-5-4-6-15(13-14)19(23)21-16-9-11-22(12-10-16)26(24,25)18-8-3-2-7-17(18)20/h2-8,13,16H,9-12H2,1H3,(H,21,23)
InChIKeyLAWJWUYJEIMHNS-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

3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561824
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
1-(2-fluorophenyl)sulfonyl-N-[3-(3-methylphenoxy)propyl]piperidine-4-carboxamide
CID 27040123
N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27241165
3-hydroxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108562939
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide (CID 3218814) is N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC2CCN(S(=O)(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
The InChIKey is LAWJWUYJEIMHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-5-4-6-15(13-14)19(23)21-16-9-11-22(12-10-16)26(24,25)18-8-3-2-7-17(18)20/h2-8,13,16H,9-12H2,1H3,(H,21,23).
What are the key properties of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide?
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-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-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 3218814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).