N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide

C17H15ClF3NO3S2 — CID 143324924

IUPACN-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide
SMILESCSc1c(C)cc(O)c(C(=O)Nc2ccc(S(=O)C(F)(F)F)cc2Cl)c1C
InChIInChI=1S/C17H15ClF3NO3S2/c1-8-6-13(23)14(9(2)15(8)26-3)16(24)22-12-5-4-10(7-11(12)18)27(25)17(19,20)21/h4-7,23H,1-3H3,(H,22,24)
InChIKeyRCHZMOQUKRQOHZ-UHFFFAOYSA-N
MW437.89 g/mol
LogP5.26
Rot. Bonds4

About N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide

N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide (PubChem CID 143324924) has the molecular formula C17H15ClF3NO3S2 and a molecular weight of 437.89 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide
PubChem CID143324924
Molecular FormulaC17H15ClF3NO3S2
Molecular Weight437.89 g/mol
Exact Mass437.01
IUPAC NameN-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide
SMILESCSc1c(C)cc(O)c(C(=O)Nc2ccc(S(=O)C(F)(F)F)cc2Cl)c1C
InChIInChI=1S/C17H15ClF3NO3S2/c1-8-6-13(23)14(9(2)15(8)26-3)16(24)22-12-5-4-10(7-11(12)18)27(25)17(19,20)21/h4-7,23H,1-3H3,(H,22,24)
InChIKeyRCHZMOQUKRQOHZ-UHFFFAOYSA-N
XLogP5.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.89
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide 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-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide (CID 143324924) is N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide is CSc1c(C)cc(O)c(C(=O)Nc2ccc(S(=O)C(F)(F)F)cc2Cl)c1C.
What is the InChIKey of N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide?
The InChIKey is RCHZMOQUKRQOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO3S2/c1-8-6-13(23)14(9(2)15(8)26-3)16(24)22-12-5-4-10(7-11(12)18)27(25)17(19,20)21/h4-7,23H,1-3H3,(H,22,24).
What are the key properties of N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide?
N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide has a molecular weight of 437.89 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-6-hydroxy-2,4-dimethyl-3-methylsulfanylbenzamide is sourced from PubChem (CID 143324924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).