5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide

C18H16Cl2F3NO4S — CID 57432703

IUPAC5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide
SMILESCc1cc(Cl)c(C(C)C)c(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2Cl)c1O
InChIInChI=1S/C18H16Cl2F3NO4S/c1-8(2)14-12(20)6-9(3)16(25)15(14)17(26)24-13-5-4-10(7-11(13)19)29(27,28)18(21,22)23/h4-8,25H,1-3H3,(H,24,26)
InChIKeyKIAXPSYHRPLUNV-UHFFFAOYSA-N
MW470.30 g/mol
LogP5.68
Rot. Bonds4

About 5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide

5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide (PubChem CID 57432703) has the molecular formula C18H16Cl2F3NO4S and a molecular weight of 470.30 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide
PubChem CID57432703
Molecular FormulaC18H16Cl2F3NO4S
Molecular Weight470.30 g/mol
Exact Mass469.01
IUPAC Name5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide
SMILESCc1cc(Cl)c(C(C)C)c(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2Cl)c1O
InChIInChI=1S/C18H16Cl2F3NO4S/c1-8(2)14-12(20)6-9(3)16(25)15(14)17(26)24-13-5-4-10(7-11(13)19)29(27,28)18(21,22)23/h4-8,25H,1-3H3,(H,24,26)
InChIKeyKIAXPSYHRPLUNV-UHFFFAOYSA-N
XLogP5.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.30
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide
CID 11962758
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-5-(dimethylsulfamoyl)-2-hydroxy-6-methylbenzamide
CID 11962803
5-tert-butyl-3-[[2-chloro-4-(trifluoromethylsulfonyl)phenyl]carbamoyl]-4-hydroxy-2-methylbenzenesulfinate
CID 59191196
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-propylsulfanylbenzamide
CID 57432686
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-(4-methylsulfonylphenyl)benzamide
CID 11962318
4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide
CID 11962720
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-5-methoxybenzamide
CID 11962550
3-(1-adamantyl)-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-5-methylbenzamide
CID 11962385
5-benzylsulfinyl-3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methylbenzamide
CID 57432688
3-(1-adamantyl)-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 11962390
3-tert-butyl-2-hydroxy-6-methyl-5-methylsulfinyl-N-[2-methyl-4-(trifluoromethylsulfonyl)phenyl]benzamide
CID 57432667
3-(3,5-dimethyl-4-pyridinyl)-2-hydroxy-6-methyl-5-methylsulfonyl-N-[2-methyl-4-(trifluoromethylsulfonyl)phenyl]benzamide
CID 135907695

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide?
The IUPAC name of 5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide (CID 57432703) is 5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide is Cc1cc(Cl)c(C(C)C)c(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2Cl)c1O.
What is the InChIKey of 5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide?
The InChIKey is KIAXPSYHRPLUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3NO4S/c1-8(2)14-12(20)6-9(3)16(25)15(14)17(26)24-13-5-4-10(7-11(13)19)29(27,28)18(21,22)23/h4-8,25H,1-3H3,(H,24,26).
What are the key properties of 5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide?
5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide has a molecular weight of 470.30 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide is sourced from PubChem (CID 57432703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).