N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide

C20H23FN2O3S — CID 27827308

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23FN2O3S/c1-22(15-16-7-5-9-18(21)13-16)20(24)17-8-6-10-19(14-17)27(25,26)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12,15H2,1H3
InChIKeyAXEZVWILBYCQJN-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.27
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide

N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 27827308) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID27827308
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23FN2O3S/c1-22(15-16-7-5-9-18(21)13-16)20(24)17-8-6-10-19(14-17)27(25,26)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12,15H2,1H3
InChIKeyAXEZVWILBYCQJN-UHFFFAOYSA-N
XLogP3.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 43028012
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 24819858
N-[(4-methoxyphenyl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26250316
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 9226975
N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 39230100
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 16521963
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8554223
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 25163092
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 9094453

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 27827308) is N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide is CN(Cc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is AXEZVWILBYCQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-22(15-16-7-5-9-18(21)13-16)20(24)17-8-6-10-19(14-17)27(25,26)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12,15H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 390.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27827308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).