2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide

C16H15ClN2O3S2 — CID 9068119

IUPAC2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S2/c17-13-7-5-12(6-8-13)9-10-24(21,22)19-14-3-1-2-4-15(14)23-11-16(18)20/h1-10,19H,11H2,(H2,18,20)/b10-9+
InChIKeyOZIWFNAXPBHSIA-MDZDMXLPSA-N
MW382.89 g/mol
LogP3.33
Rot. Bonds7

About 2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide

2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 9068119) has the molecular formula C16H15ClN2O3S2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide
PubChem CID9068119
Molecular FormulaC16H15ClN2O3S2
Molecular Weight382.89 g/mol
Exact Mass382.02
IUPAC Name2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S2/c17-13-7-5-12(6-8-13)9-10-24(21,22)19-14-3-1-2-4-15(14)23-11-16(18)20/h1-10,19H,11H2,(H2,18,20)/b10-9+
InChIKeyOZIWFNAXPBHSIA-MDZDMXLPSA-N
XLogP3.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Chlorophenyl)ethylsulfonylamino]benzenesulfonamide
CID 42643896
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzenesulfonamide
CID 42643897
2-[[(E)-2-(4-Chlorophenyl)ethenyl]sulfonylamino]-4-fluoro-benzenesulfonamide
CID 42644132
2-[2-(4-Chlorophenyl)ethylsulfonylamino]-4-fluoro-benzenesulfonamide
CID 42644368
2-[[(E)-2-(4-chlorophenyl)prop-1-enyl]sulfonylamino]benzenesulfonamide
CID 42644369
2-[1-(4-Chlorophenyl)propan-2-ylsulfonylamino]benzenesulfonamide
CID 42645532
2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide
CID 42645534
2-[2-(4-Chlorophenyl)ethylsulfonylamino]-5-fluorobenzenesulfonamide
CID 42646007
2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
CID 42646008
US9663460, Example 18
CID 57378424
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2228275
2-[(4-Chlorobenzyl)thio]aniline
CID 4335831

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide (CID 9068119) is 2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is OZIWFNAXPBHSIA-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H15ClN2O3S2/c17-13-7-5-12(6-8-13)9-10-24(21,22)19-14-3-1-2-4-15(14)23-11-16(18)20/h1-10,19H,11H2,(H2,18,20)/b10-9+.
What are the key properties of 2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide?
2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 382.89 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 9068119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).