4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide

C16H14F3NO3S2 — CID 168865490

IUPAC4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO3S2/c1-10-3-6-12(7-4-10)25(22,23)20-14-8-5-11(24-2)9-13(14)15(21)16(17,18)19/h3-9,20H,1-2H3
InChIKeyWJDDUCYKCBDMJN-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.26
Rot. Bonds5

About 4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide

4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide (PubChem CID 168865490) has the molecular formula C16H14F3NO3S2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
PubChem CID168865490
Molecular FormulaC16H14F3NO3S2
Molecular Weight389.42 g/mol
Exact Mass389.04
IUPAC Name4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO3S2/c1-10-3-6-12(7-4-10)25(22,23)20-14-8-5-11(24-2)9-13(14)15(21)16(17,18)19/h3-9,20H,1-2H3
InChIKeyWJDDUCYKCBDMJN-UHFFFAOYSA-N
XLogP4.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 171481855
4-methyl-N-[2-(2,2,2-trifluoroacetyl)-4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 169373254
N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 102223921
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
2-tert-butyl-N-[4-methoxy-2-(2,2,2-trifluoroacetyl)phenyl]-4-methylbenzenesulfonamide
CID 175545105
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
[3-fluoro-4-[(4-methylphenyl)sulfonylamino]phenyl] thiocyanate
CID 7938410
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
4-fluoro-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 169371323
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide (CID 168865490) is 4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide is CSc1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
The InChIKey is WJDDUCYKCBDMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S2/c1-10-3-6-12(7-4-10)25(22,23)20-14-8-5-11(24-2)9-13(14)15(21)16(17,18)19/h3-9,20H,1-2H3.
What are the key properties of 4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide has a molecular weight of 389.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 168865490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).