5-chloro-2-(4-methylsulfonylphenyl)-1H-indole

C15H12ClNO2S — CID 19694477

IUPAC5-chloro-2-(4-methylsulfonylphenyl)-1H-indole
SMILESCS(=O)(=O)c1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C15H12ClNO2S/c1-20(18,19)13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)17-15/h2-9,17H,1H3
InChIKeyZAJQBUPNPLJKRP-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.89
Rot. Bonds2

About 5-chloro-2-(4-methylsulfonylphenyl)-1H-indole

5-chloro-2-(4-methylsulfonylphenyl)-1H-indole (PubChem CID 19694477) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-chloro-2-(4-methylsulfonylphenyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(4-methylsulfonylphenyl)-1H-indole
PubChem CID19694477
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name5-chloro-2-(4-methylsulfonylphenyl)-1H-indole
SMILESCS(=O)(=O)c1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C15H12ClNO2S/c1-20(18,19)13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)17-15/h2-9,17H,1H3
InChIKeyZAJQBUPNPLJKRP-UHFFFAOYSA-N
XLogP3.89
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methylsulfonylphenyl)-1H-indole?
The IUPAC name of 5-chloro-2-(4-methylsulfonylphenyl)-1H-indole (CID 19694477) is 5-chloro-2-(4-methylsulfonylphenyl)-1H-indole.
What is the SMILES notation for 5-chloro-2-(4-methylsulfonylphenyl)-1H-indole?
The canonical SMILES for 5-chloro-2-(4-methylsulfonylphenyl)-1H-indole is CS(=O)(=O)c1ccc(-c2cc3cc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of 5-chloro-2-(4-methylsulfonylphenyl)-1H-indole?
The InChIKey is ZAJQBUPNPLJKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-20(18,19)13-5-2-10(3-6-13)15-9-11-8-12(16)4-7-14(11)17-15/h2-9,17H,1H3.
What are the key properties of 5-chloro-2-(4-methylsulfonylphenyl)-1H-indole?
5-chloro-2-(4-methylsulfonylphenyl)-1H-indole has a molecular weight of 305.79 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylsulfonylphenyl)-1H-indole is sourced from PubChem (CID 19694477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).