4-(4-methylsulfonylphenyl)-1H-indole

C15H13NO2S — CID 50973001

IUPAC4-(4-methylsulfonylphenyl)-1H-indole
SMILESCS(=O)(=O)c1ccc(-c2cccc3[nH]ccc23)cc1
InChIInChI=1S/C15H13NO2S/c1-19(17,18)12-7-5-11(6-8-12)13-3-2-4-15-14(13)9-10-16-15/h2-10,16H,1H3
InChIKeyQXXVLKFJFZKEMW-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.24
Rot. Bonds2

About 4-(4-methylsulfonylphenyl)-1H-indole

4-(4-methylsulfonylphenyl)-1H-indole (PubChem CID 50973001) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-1H-indole.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-1H-indole
PubChem CID50973001
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name4-(4-methylsulfonylphenyl)-1H-indole
SMILESCS(=O)(=O)c1ccc(-c2cccc3[nH]ccc23)cc1
InChIInChI=1S/C15H13NO2S/c1-19(17,18)12-7-5-11(6-8-12)13-3-2-4-15-14(13)9-10-16-15/h2-10,16H,1H3
InChIKeyQXXVLKFJFZKEMW-UHFFFAOYSA-N
XLogP3.24
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-1H-indole?
The IUPAC name of 4-(4-methylsulfonylphenyl)-1H-indole (CID 50973001) is 4-(4-methylsulfonylphenyl)-1H-indole.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-1H-indole?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-1H-indole is CS(=O)(=O)c1ccc(-c2cccc3[nH]ccc23)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-1H-indole?
The InChIKey is QXXVLKFJFZKEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-19(17,18)12-7-5-11(6-8-12)13-3-2-4-15-14(13)9-10-16-15/h2-10,16H,1H3.
What are the key properties of 4-(4-methylsulfonylphenyl)-1H-indole?
4-(4-methylsulfonylphenyl)-1H-indole has a molecular weight of 271.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-1H-indole is sourced from PubChem (CID 50973001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).