2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

C17H17ClF3N3O3S2 — CID 4157635

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H17ClF3N3O3S2/c1-10-4-5-12(29(26,27)24(2)3)7-14(10)23-15(25)9-28-16-13(18)6-11(8-22-16)17(19,20)21/h4-8H,9H2,1-3H3,(H,23,25)
InChIKeyZULZBFVPBBNGDE-UHFFFAOYSA-N
MW467.92 g/mol
LogP4.04
Rot. Bonds6

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 4157635) has the molecular formula C17H17ClF3N3O3S2 and a molecular weight of 467.92 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID4157635
Molecular FormulaC17H17ClF3N3O3S2
Molecular Weight467.92 g/mol
Exact Mass467.04
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H17ClF3N3O3S2/c1-10-4-5-12(29(26,27)24(2)3)7-14(10)23-15(25)9-28-16-13(18)6-11(8-22-16)17(19,20)21/h4-8H,9H2,1-3H3,(H,23,25)
InChIKeyZULZBFVPBBNGDE-UHFFFAOYSA-N
XLogP4.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.92
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide 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 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (CID 4157635) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is ZULZBFVPBBNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O3S2/c1-10-4-5-12(29(26,27)24(2)3)7-14(10)23-15(25)9-28-16-13(18)6-11(8-22-16)17(19,20)21/h4-8H,9H2,1-3H3,(H,23,25).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 467.92 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 4157635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).