2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide

C16H11Cl3N2OS — CID 162666981

IUPAC2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CSc1c[nH]c2cccc(Cl)c12)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl3N2OS/c17-10-5-4-9(6-12(10)19)21-15(22)8-23-14-7-20-13-3-1-2-11(18)16(13)14/h1-7,20H,8H2,(H,21,22)
InChIKeyLETYTPBZXLLJPV-UHFFFAOYSA-N
MW385.70 g/mol
LogP5.86
Rot. Bonds4

About 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide

2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 162666981) has the molecular formula C16H11Cl3N2OS and a molecular weight of 385.70 g/mol. Its IUPAC name is 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
PubChem CID162666981
Molecular FormulaC16H11Cl3N2OS
Molecular Weight385.70 g/mol
Exact Mass383.97
IUPAC Name2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CSc1c[nH]c2cccc(Cl)c12)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl3N2OS/c17-10-5-4-9(6-12(10)19)21-15(22)8-23-14-7-20-13-3-1-2-11(18)16(13)14/h1-7,20H,8H2,(H,21,22)
InChIKeyLETYTPBZXLLJPV-UHFFFAOYSA-N
XLogP5.86
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.70
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide (CID 162666981) is 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide is O=C(CSc1c[nH]c2cccc(Cl)c12)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is LETYTPBZXLLJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2OS/c17-10-5-4-9(6-12(10)19)21-15(22)8-23-14-7-20-13-3-1-2-11(18)16(13)14/h1-7,20H,8H2,(H,21,22).
What are the key properties of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide?
2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 385.70 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 162666981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).