2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide

C16H13Cl2F3N2O4S2 — CID 57378763

IUPAC2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H13Cl2F3N2O4S2/c1-22-15(24)8-28(25)14-5-2-9(17)6-13(14)23-29(26,27)10-3-4-12(18)11(7-10)16(19,20)21/h2-7,23H,8H2,1H3,(H,22,24)
InChIKeyZRPDQFSUZLAFCJ-UHFFFAOYSA-N
MW489.32 g/mol
LogP3.67
Rot. Bonds6

About 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide

2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide (PubChem CID 57378763) has the molecular formula C16H13Cl2F3N2O4S2 and a molecular weight of 489.32 g/mol. Its IUPAC name is 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide
PubChem CID57378763
Molecular FormulaC16H13Cl2F3N2O4S2
Molecular Weight489.32 g/mol
Exact Mass487.96
IUPAC Name2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H13Cl2F3N2O4S2/c1-22-15(24)8-28(25)14-5-2-9(17)6-13(14)23-29(26,27)10-3-4-12(18)11(7-10)16(19,20)21/h2-7,23H,8H2,1H3,(H,22,24)
InChIKeyZRPDQFSUZLAFCJ-UHFFFAOYSA-N
XLogP3.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US9663460, Example 1
CID 57378320
US9663460, Example 2
CID 57378321
4-chloro-N-[5-chloro-2-(methylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378322
4-chloro-N-[5-chloro-2-(isopropylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378323
US9663460, Example 15
CID 57378423
US9663460, Example 18
CID 57378424
US9663460, Example 17
CID 57378425
4-chloro-N-[5-chloro-2-(ethylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378525
US9663460, Example 27
CID 57378527
US9663460, Example 28
CID 57378528
US9663460, Example 41
CID 57378761
US9663460, Example 42
CID 57378762

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide?
The IUPAC name of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide (CID 57378763) is 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide.
What is the SMILES notation for 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide?
The canonical SMILES for 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide is CNC(=O)CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide?
The InChIKey is ZRPDQFSUZLAFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O4S2/c1-22-15(24)8-28(25)14-5-2-9(17)6-13(14)23-29(26,27)10-3-4-12(18)11(7-10)16(19,20)21/h2-7,23H,8H2,1H3,(H,22,24).
What are the key properties of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide?
2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide has a molecular weight of 489.32 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinyl-N-methylacetamide is sourced from PubChem (CID 57378763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).