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

C16H15NO3S — CID 45484514

IUPAC5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc2c1
InChIInChI=1S/C16H15NO3S/c1-20-13-5-8-15-12(9-13)10-16(17-15)11-3-6-14(7-4-11)21(2,18)19/h3-10,17H,1-2H3
InChIKeyRQIQNXKCKAJTPF-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.25
Rot. Bonds3

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

5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole (PubChem CID 45484514) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole
PubChem CID45484514
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc2c1
InChIInChI=1S/C16H15NO3S/c1-20-13-5-8-15-12(9-13)10-16(17-15)11-3-6-14(7-4-11)21(2,18)19/h3-10,17H,1-2H3
InChIKeyRQIQNXKCKAJTPF-UHFFFAOYSA-N
XLogP3.25
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole?
The IUPAC name of 5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole (CID 45484514) is 5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole.
What is the SMILES notation for 5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole?
The canonical SMILES for 5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole is COc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc2c1.
What is the InChIKey of 5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole?
The InChIKey is RQIQNXKCKAJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-20-13-5-8-15-12(9-13)10-16(17-15)11-3-6-14(7-4-11)21(2,18)19/h3-10,17H,1-2H3.
What are the key properties of 5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole?
5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole has a molecular weight of 301.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methylsulfonylphenyl)-1H-indole is sourced from PubChem (CID 45484514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).