N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide

C16H12Cl2N2OS — CID 3310705

IUPACN-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
SMILESO=C(CSc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2OS/c17-12-6-5-10(7-13(12)18)20-16(21)9-22-15-8-19-14-4-2-1-3-11(14)15/h1-8,19H,9H2,(H,20,21)
InChIKeyOUNROJVGCGSCFI-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.21
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide

N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide (PubChem CID 3310705) has the molecular formula C16H12Cl2N2OS and a molecular weight of 351.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
PubChem CID3310705
Molecular FormulaC16H12Cl2N2OS
Molecular Weight351.26 g/mol
Exact Mass350.00
IUPAC NameN-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
SMILESO=C(CSc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2OS/c17-12-6-5-10(7-13(12)18)20-16(21)9-22-15-8-19-14-4-2-1-3-11(14)15/h1-8,19H,9H2,(H,20,21)
InChIKeyOUNROJVGCGSCFI-UHFFFAOYSA-N
XLogP5.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.26
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide (CID 3310705) is N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide is O=C(CSc1c[nH]c2ccccc12)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
The InChIKey is OUNROJVGCGSCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS/c17-12-6-5-10(7-13(12)18)20-16(21)9-22-15-8-19-14-4-2-1-3-11(14)15/h1-8,19H,9H2,(H,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide?
N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide has a molecular weight of 351.26 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide is sourced from PubChem (CID 3310705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).