(1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone

C17H15NO3S — CID 46939838

IUPAC(1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone
SMILESCn1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C17H15NO3S/c1-18-11-15(14-5-3-4-6-16(14)18)17(19)12-7-9-13(10-8-12)22(2,20)21/h3-11H,1-2H3
InChIKeyFOEUPKDQBBKJIV-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.81
Rot. Bonds3

About (1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone

(1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone (PubChem CID 46939838) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is (1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone
PubChem CID46939838
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name(1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone
SMILESCn1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C17H15NO3S/c1-18-11-15(14-5-3-4-6-16(14)18)17(19)12-7-9-13(10-8-12)22(2,20)21/h3-11H,1-2H3
InChIKeyFOEUPKDQBBKJIV-UHFFFAOYSA-N
XLogP2.81
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone (CID 46939838) is (1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone is Cn1cc(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is FOEUPKDQBBKJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-18-11-15(14-5-3-4-6-16(14)18)17(19)12-7-9-13(10-8-12)22(2,20)21/h3-11H,1-2H3.
What are the key properties of (1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone?
(1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 313.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 46939838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).