2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole

C20H13Cl2NS2 — CID 10453718

IUPAC2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole
SMILESClc1ccc(Sc2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H13Cl2NS2/c21-13-5-9-15(10-6-13)24-19-17-3-1-2-4-18(17)23-20(19)25-16-11-7-14(22)8-12-16/h1-12,23H
InChIKeyGWPYTINHVONGGQ-UHFFFAOYSA-N
MW402.37 g/mol
LogP7.78
Rot. Bonds4

About 2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole

2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole (PubChem CID 10453718) has the molecular formula C20H13Cl2NS2 and a molecular weight of 402.37 g/mol. Its IUPAC name is 2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole.

Molecular Properties

Compound Name2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole
PubChem CID10453718
Molecular FormulaC20H13Cl2NS2
Molecular Weight402.37 g/mol
Exact Mass400.99
IUPAC Name2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole
SMILESClc1ccc(Sc2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H13Cl2NS2/c21-13-5-9-15(10-6-13)24-19-17-3-1-2-4-18(17)23-20(19)25-16-11-7-14(22)8-12-16/h1-12,23H
InChIKeyGWPYTINHVONGGQ-UHFFFAOYSA-N
XLogP7.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole
CID 10596987
2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole
CID 138983413
3-(4-chlorophenyl)sulfanyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 90645721
5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole
CID 56683455
3-(4-chlorophenyl)sulfanyl-N-propyl-1H-indole-2-carboxamide
CID 6623806
3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one
CID 154707679
3-(4-chlorophenyl)sulfanyl-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 22513700
4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole
CID 121004885
2-phenylsulfanyl-3-(phenylsulfanylmethyl)-1H-indole
CID 102323349
3,4-bis[(4-chlorophenyl)sulfanyl]cyclobut-3-ene-1,2-dione
CID 606826
8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one
CID 141173282
2-(4-methoxyphenyl)sulfanyl-3-propan-2-yl-1H-indole
CID 11779398

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole?
The IUPAC name of 2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole (CID 10453718) is 2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole.
What is the SMILES notation for 2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole?
The canonical SMILES for 2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole is Clc1ccc(Sc2[nH]c3ccccc3c2Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole?
The InChIKey is GWPYTINHVONGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NS2/c21-13-5-9-15(10-6-13)24-19-17-3-1-2-4-18(17)23-20(19)25-16-11-7-14(22)8-12-16/h1-12,23H.
What are the key properties of 2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole?
2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole has a molecular weight of 402.37 g/mol, XLogP of 7.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole is sourced from PubChem (CID 10453718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).