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

C22H16ClNOS — CID 43952839

IUPAC1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone
SMILESO=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClNOS/c23-17-12-10-15(11-13-17)20(25)14-26-22-18-8-4-5-9-19(18)24-21(22)16-6-2-1-3-7-16/h1-13,24H,14H2
InChIKeyJTGSWMHTLANQJH-UHFFFAOYSA-N
MW377.90 g/mol
LogP6.46
Rot. Bonds5

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

1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone (PubChem CID 43952839) has the molecular formula C22H16ClNOS and a molecular weight of 377.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone
PubChem CID43952839
Molecular FormulaC22H16ClNOS
Molecular Weight377.90 g/mol
Exact Mass377.06
IUPAC Name1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone
SMILESO=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClNOS/c23-17-12-10-15(11-13-17)20(25)14-26-22-18-8-4-5-9-19(18)24-21(22)16-6-2-1-3-7-16/h1-13,24H,14H2
InChIKeyJTGSWMHTLANQJH-UHFFFAOYSA-N
XLogP6.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.90
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156509
N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156506
3-benzylsulfanyl-2-phenyl-1H-indole
CID 10852837
N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-3-methylbenzamide
CID 4107374
5-chloro-2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 4090408
2,2-diphenyl-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 4079247
1-(4-chlorophenyl)-2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone
CID 2826033
2-[(2-phenyl-1H-indol-3-yl)sulfanyl]propanoic acid
CID 71364656
5-chloro-N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-methoxybenzamide
CID 5115206
2-methoxy-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156517
2-iodo-N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 4139803
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone (CID 43952839) is 1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone is O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone?
The InChIKey is JTGSWMHTLANQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNOS/c23-17-12-10-15(11-13-17)20(25)14-26-22-18-8-4-5-9-19(18)24-21(22)16-6-2-1-3-7-16/h1-13,24H,14H2.
What are the key properties of 1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone?
1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone has a molecular weight of 377.90 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 43952839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).