N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide

C17H15Cl2F3N2O5S2 — CID 57377453

IUPACN-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide
SMILESCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15Cl2F3N2O5S2/c1-10(25)23-6-7-30(26,27)16-5-2-11(18)8-15(16)24-31(28,29)12-3-4-14(19)13(9-12)17(20,21)22/h2-5,8-9,24H,6-7H2,1H3,(H,23,25)
InChIKeyLXPICSONZBKYBQ-UHFFFAOYSA-N
MW519.35 g/mol
LogP3.72
Rot. Bonds7

About N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide

N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide (PubChem CID 57377453) has the molecular formula C17H15Cl2F3N2O5S2 and a molecular weight of 519.35 g/mol. Its IUPAC name is N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide
PubChem CID57377453
Molecular FormulaC17H15Cl2F3N2O5S2
Molecular Weight519.35 g/mol
Exact Mass517.98
IUPAC NameN-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide
SMILESCC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15Cl2F3N2O5S2/c1-10(25)23-6-7-30(26,27)16-5-2-11(18)8-15(16)24-31(28,29)12-3-4-14(19)13(9-12)17(20,21)22/h2-5,8-9,24H,6-7H2,1H3,(H,23,25)
InChIKeyLXPICSONZBKYBQ-UHFFFAOYSA-N
XLogP3.72
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.35
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide with MolForge

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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 N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide?
The IUPAC name of N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide (CID 57377453) is N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide.
What is the SMILES notation for N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide?
The canonical SMILES for N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide is CC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide?
The InChIKey is LXPICSONZBKYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O5S2/c1-10(25)23-6-7-30(26,27)16-5-2-11(18)8-15(16)24-31(28,29)12-3-4-14(19)13(9-12)17(20,21)22/h2-5,8-9,24H,6-7H2,1H3,(H,23,25).
What are the key properties of N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide?
N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide has a molecular weight of 519.35 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylethyl]acetamide is sourced from PubChem (CID 57377453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).