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

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Related Compounds

3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-5-fluoro-2-hydroxy-6-methylbenzamide
CID 162581890
3-chloro-N-(2-chloro-4-methylphenyl)-6-hydroxy-2-methylbenzamide;formaldehyde;1,1,1-trifluoroethane
CID 143324950
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfinyl)phenyl]-2-hydroxy-5-methoxybenzamide
CID 143324956
5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide
CID 57432703
N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
CID 6469057
N-(2-chloro-4-methylphenyl)-4-methylsulfinylbenzamide
CID 51191587
5-tert-butyl-3-[[2-chloro-4-(trifluoromethylsulfonyl)phenyl]carbamoyl]-4-hydroxy-2-methylbenzenesulfinate
CID 59191196
3-tert-butyl-5-chloro-N-(2-chloro-4-methylphenyl)-2-hydroxy-6-methylbenzamide
CID 118641906
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
CID 79217596
N-(4-bromo-2-chlorophenyl)-2,4,6-trimethylbenzamide
CID 53267510
2-chloro-5-(trifluoromethylsulfinyl)aniline
CID 158266588
4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide
CID 26886366

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).