N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide

C21H17F3N2O3S — CID 3644885

IUPACN-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESCS(=O)(=O)c1ccc(N(Cc2ccccn2)C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H17F3N2O3S/c1-30(28,29)19-11-9-18(10-12-19)26(14-17-4-2-3-13-25-17)20(27)15-5-7-16(8-6-15)21(22,23)24/h2-13H,14H2,1H3
InChIKeyDIJKKHDMSGZDCS-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.35
Rot. Bonds5

About N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide

N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 3644885) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID3644885
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC NameN-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESCS(=O)(=O)c1ccc(N(Cc2ccccn2)C(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H17F3N2O3S/c1-30(28,29)19-11-9-18(10-12-19)26(14-17-4-2-3-13-25-17)20(27)15-5-7-16(8-6-15)21(22,23)24/h2-13H,14H2,1H3
InChIKeyDIJKKHDMSGZDCS-UHFFFAOYSA-N
XLogP4.35
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 76335555
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CID 44595848
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CID 11663033
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CID 15049708
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CID 45104340
CID 45104340
CID 49850072
CID 49850072
CID 50912990
CID 50912990
CID 50914609
CID 50914609
CID 50914751
CID 50914751
CID 139390915
CID 139390915
CID 142474751
CID 142474751
CID 146014130
CID 146014130

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide (CID 3644885) is N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide is CS(=O)(=O)c1ccc(N(Cc2ccccn2)C(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is DIJKKHDMSGZDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c1-30(28,29)19-11-9-18(10-12-19)26(14-17-4-2-3-13-25-17)20(27)15-5-7-16(8-6-15)21(22,23)24/h2-13H,14H2,1H3.
What are the key properties of N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide?
N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 434.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 3644885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).