3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide

C17H14Cl2F3NO4S — CID 4638465

IUPAC3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)(CS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14Cl2F3NO4S/c1-16(25,9-28(26,27)14-12(18)3-2-4-13(14)19)15(24)23-11-7-5-10(6-8-11)17(20,21)22/h2-8,25H,9H2,1H3,(H,23,24)
InChIKeyZUQQEEWGWCPXTJ-UHFFFAOYSA-N
MW456.27 g/mol
LogP4.18
Rot. Bonds5

About 3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide

3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 4638465) has the molecular formula C17H14Cl2F3NO4S and a molecular weight of 456.27 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID4638465
Molecular FormulaC17H14Cl2F3NO4S
Molecular Weight456.27 g/mol
Exact Mass455.00
IUPAC Name3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(O)(CS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14Cl2F3NO4S/c1-16(25,9-28(26,27)14-12(18)3-2-4-13(14)19)15(24)23-11-7-5-10(6-8-11)17(20,21)22/h2-8,25H,9H2,1H3,(H,23,24)
InChIKeyZUQQEEWGWCPXTJ-UHFFFAOYSA-N
XLogP4.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.27
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 4638465) is 3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide is CC(O)(CS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZUQQEEWGWCPXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO4S/c1-16(25,9-28(26,27)14-12(18)3-2-4-13(14)19)15(24)23-11-7-5-10(6-8-11)17(20,21)22/h2-8,25H,9H2,1H3,(H,23,24).
What are the key properties of 3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 456.27 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)sulfonyl-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 4638465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).