N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide

C23H17ClF6N2O3S — CID 86670819

IUPACN-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(-c2ccccc2Cl)c(N(CC(F)(F)F)C(=O)c2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C23H17ClF6N2O3S/c1-13-7-18(17-5-3-4-6-19(17)24)20(11-31-13)32(12-22(25,26)27)21(33)14-8-15(23(28,29)30)10-16(9-14)36(2,34)35/h3-11H,12H2,1-2H3
InChIKeyVQSOJZRTLXCLMC-UHFFFAOYSA-N
MW550.91 g/mol
LogP6.34
Rot. Bonds5

About N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide

N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide (PubChem CID 86670819) has the molecular formula C23H17ClF6N2O3S and a molecular weight of 550.91 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide
PubChem CID86670819
Molecular FormulaC23H17ClF6N2O3S
Molecular Weight550.91 g/mol
Exact Mass550.06
IUPAC NameN-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(-c2ccccc2Cl)c(N(CC(F)(F)F)C(=O)c2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C23H17ClF6N2O3S/c1-13-7-18(17-5-3-4-6-19(17)24)20(11-31-13)32(12-22(25,26)27)21(33)14-8-15(23(28,29)30)10-16(9-14)36(2,34)35/h3-11H,12H2,1-2H3
InChIKeyVQSOJZRTLXCLMC-UHFFFAOYSA-N
XLogP6.34
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.91
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide
CID 18378797
N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
CID 44626324
N-(4-chloro-3-(pyridin-2-yl)phenyl)-3-(methylsulfonyl)benzamide
CID 45485696
[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 70685475
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(4-fluorophenyl)sulfonylbenzamide
CID 70692536
3-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-N-methylbenzamide
CID 141754979
US10385022, Example 78
CID 60196805
N-[4-(2-Chloro-phenyl)-pyridin-3-yl]-N-(2,2,2-trifluoro-ethyl)-3,5-bis-trifluoromethyl-benzamide
CID 60196999
N-(6-Chloro-4-o-tolyl-pyridin-3-yl)-N-methyl-3,5-bis-trifluoromethyl-benzamide
CID 60197100
N-[4-(2-Chloro-phenyl)-pyridin-3-yl]-N-cyclopropylmethyl-3,5-bis-trifluoromethyl-benzamide
CID 60197694
4-Chloro-N-methyl-N-(4-o-tolyl-pyridin-3-yl)-3-trifluoromethyl-benzamide
CID 60197697
N-[4-(2-Chloro-phenyl)-pyridin-3-yl]-N-(2-fluoro-ethyl)-3,5-bis-trifluoromethyl-benzamide
CID 60197803

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide (CID 86670819) is N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide is Cc1cc(-c2ccccc2Cl)c(N(CC(F)(F)F)C(=O)c2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)cn1.
What is the InChIKey of N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is VQSOJZRTLXCLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF6N2O3S/c1-13-7-18(17-5-3-4-6-19(17)24)20(11-31-13)32(12-22(25,26)27)21(33)14-8-15(23(28,29)30)10-16(9-14)36(2,34)35/h3-11H,12H2,1-2H3.
What are the key properties of N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide?
N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 550.91 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-6-methyl-3-pyridinyl]-3-methylsulfonyl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 86670819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).