2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole

C21H16ClNOS2 — CID 10596987

IUPAC2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole
SMILESCOc1ccc(Sc2c(Sc3ccc(Cl)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H16ClNOS2/c1-24-15-8-12-16(13-9-15)25-20-18-4-2-3-5-19(18)23-21(20)26-17-10-6-14(22)7-11-17/h2-13,23H,1H3
InChIKeyPIGGAKYIWHWAOQ-UHFFFAOYSA-N
MW397.95 g/mol
LogP7.13
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole

2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole (PubChem CID 10596987) has the molecular formula C21H16ClNOS2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole
PubChem CID10596987
Molecular FormulaC21H16ClNOS2
Molecular Weight397.95 g/mol
Exact Mass397.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole
SMILESCOc1ccc(Sc2c(Sc3ccc(Cl)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H16ClNOS2/c1-24-15-8-12-16(13-9-15)25-20-18-4-2-3-5-19(18)23-21(20)26-17-10-6-14(22)7-11-17/h2-13,23H,1H3
InChIKeyPIGGAKYIWHWAOQ-UHFFFAOYSA-N
XLogP7.13
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole
CID 10453718
2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole
CID 138983413
2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole
CID 11779398
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
2-(4-chlorophenyl)sulfanyl-6-methoxy-3-nitro-1H-indole
CID 975456
ethyl 5-chloro-3-(4-methoxyphenyl)sulfanyl-1H-indole-2-carboxylate
CID 146173933
3-[(E)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)ethenyl]-2-methyl-1H-indole
CID 102573293
3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide
CID 6623806
anisole;1,4-dichlorobenzene
CID 175517246
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
3-(4-chlorophenyl)sulfanyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 90645721
1-chloro-4-(4-methoxyphenyl)sulfanylphthalazine
CID 62125614

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole (CID 10596987) is 2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole is COc1ccc(Sc2c(Sc3ccc(Cl)cc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole?
The InChIKey is PIGGAKYIWHWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNOS2/c1-24-15-8-12-16(13-9-15)25-20-18-4-2-3-5-19(18)23-21(20)26-17-10-6-14(22)7-11-17/h2-13,23H,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole?
2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole has a molecular weight of 397.95 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole is sourced from PubChem (CID 10596987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).