2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone

C16H12ClNOS — CID 3605693

IUPAC2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1ccc(Cl)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12ClNOS/c17-11-5-7-12(8-6-11)20-10-16(19)14-9-18-15-4-2-1-3-13(14)15/h1-9,18H,10H2
InChIKeyUXNHFZRBIXPKCZ-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.80
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone

2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone (PubChem CID 3605693) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone
PubChem CID3605693
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone
SMILESO=C(CSc1ccc(Cl)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12ClNOS/c17-11-5-7-12(8-6-11)20-10-16(19)14-9-18-15-4-2-1-3-13(14)15/h1-9,18H,10H2
InChIKeyUXNHFZRBIXPKCZ-UHFFFAOYSA-N
XLogP4.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone (CID 3605693) is 2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone is O=C(CSc1ccc(Cl)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone?
The InChIKey is UXNHFZRBIXPKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c17-11-5-7-12(8-6-11)20-10-16(19)14-9-18-15-4-2-1-3-13(14)15/h1-9,18H,10H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone?
2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone has a molecular weight of 301.80 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 3605693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).