2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole

C20H13Cl2NO2S — CID 56666508

IUPAC2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H13Cl2NO2S/c21-14-7-5-13(6-8-14)19-20(17-3-1-2-4-18(17)23-19)26(24,25)16-11-9-15(22)10-12-16/h1-12,23H
InChIKeyPJQDBZVNLULKAP-UHFFFAOYSA-N
MW402.30 g/mol
LogP5.97
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole

2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole (PubChem CID 56666508) has the molecular formula C20H13Cl2NO2S and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole
PubChem CID56666508
Molecular FormulaC20H13Cl2NO2S
Molecular Weight402.30 g/mol
Exact Mass401.00
IUPAC Name2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H13Cl2NO2S/c21-14-7-5-13(6-8-14)19-20(17-3-1-2-4-18(17)23-19)26(24,25)16-11-9-15(22)10-12-16/h1-12,23H
InChIKeyPJQDBZVNLULKAP-UHFFFAOYSA-N
XLogP5.97
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.30
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole (CID 56666508) is 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole is O=S(=O)(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole?
The InChIKey is PJQDBZVNLULKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO2S/c21-14-7-5-13(6-8-14)19-20(17-3-1-2-4-18(17)23-19)26(24,25)16-11-9-15(22)10-12-16/h1-12,23H.
What are the key properties of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole?
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole has a molecular weight of 402.30 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonyl-1H-indole is sourced from PubChem (CID 56666508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).