N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide

C23H20ClF3N2O5S2 — CID 70663260

IUPACN-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide
SMILESCS(=O)(=O)CCN(C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cnccc1-c1ccccc1Cl
InChIInChI=1S/C23H20ClF3N2O5S2/c1-35(31,32)10-9-29(21-14-28-8-7-19(21)18-5-3-4-6-20(18)24)22(30)15-11-16(23(25,26)27)13-17(12-15)36(2,33)34/h3-8,11-14H,9-10H2,1-2H3
InChIKeyRKQWORALAMIKAF-UHFFFAOYSA-N
MW561.00 g/mol
LogP4.52
Rot. Bonds7

About N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide

N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide (PubChem CID 70663260) has the molecular formula C23H20ClF3N2O5S2 and a molecular weight of 561.00 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide
PubChem CID70663260
Molecular FormulaC23H20ClF3N2O5S2
Molecular Weight561.00 g/mol
Exact Mass560.05
IUPAC NameN-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide
SMILESCS(=O)(=O)CCN(C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cnccc1-c1ccccc1Cl
InChIInChI=1S/C23H20ClF3N2O5S2/c1-35(31,32)10-9-29(21-14-28-8-7-19(21)18-5-3-4-6-20(18)24)22(30)15-11-16(23(25,26)27)13-17(12-15)36(2,33)34/h3-8,11-14H,9-10H2,1-2H3
InChIKeyRKQWORALAMIKAF-UHFFFAOYSA-N
XLogP4.52
TPSA101.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.00
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide (CID 70663260) is N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide is CS(=O)(=O)CCN(C(=O)c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)c1cnccc1-c1ccccc1Cl.
What is the InChIKey of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is RKQWORALAMIKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O5S2/c1-35(31,32)10-9-29(21-14-28-8-7-19(21)18-5-3-4-6-20(18)24)22(30)15-11-16(23(25,26)27)13-17(12-15)36(2,33)34/h3-8,11-14H,9-10H2,1-2H3.
What are the key properties of N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide?
N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 561.00 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-3-pyridinyl]-3-methylsulfonyl-N-(2-methylsulfonylethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70663260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).