2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide

C21H23F3N2O4S — CID 28591225

IUPAC2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O4S/c1-14-9-11-26(12-10-14)31(28,29)15-7-8-19(30-2)16(13-15)20(27)25-18-6-4-3-5-17(18)21(22,23)24/h3-8,13-14H,9-12H2,1-2H3,(H,25,27)
InChIKeyFDINTVBPEMMWEX-UHFFFAOYSA-N
MW456.49 g/mol
LogP4.39
Rot. Bonds5

About 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide

2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 28591225) has the molecular formula C21H23F3N2O4S and a molecular weight of 456.49 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID28591225
Molecular FormulaC21H23F3N2O4S
Molecular Weight456.49 g/mol
Exact Mass456.13
IUPAC Name2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O4S/c1-14-9-11-26(12-10-14)31(28,29)15-7-8-19(30-2)16(13-15)20(27)25-18-6-4-3-5-17(18)21(22,23)24/h3-8,13-14H,9-12H2,1-2H3,(H,25,27)
InChIKeyFDINTVBPEMMWEX-UHFFFAOYSA-N
XLogP4.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28591252
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 28591285
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43882728
2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591213
2-chloro-N-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591320
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 94012776
N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 27211523
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 15992263

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide (CID 28591225) is 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide is COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FDINTVBPEMMWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O4S/c1-14-9-11-26(12-10-14)31(28,29)15-7-8-19(30-2)16(13-15)20(27)25-18-6-4-3-5-17(18)21(22,23)24/h3-8,13-14H,9-12H2,1-2H3,(H,25,27).
What are the key properties of 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide?
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 456.49 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 28591225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).