ethane;1-(3-methoxyphenyl)sulfonylindole

C19H25NO3S — CID 157094822

IUPACethane;1-(3-methoxyphenyl)sulfonylindole
SMILESCC.CC.COc1cccc(S(=O)(=O)n2ccc3ccccc32)c1
InChIInChI=1S/C15H13NO3S.2C2H6/c1-19-13-6-4-7-14(11-13)20(17,18)16-10-9-12-5-2-3-8-15(12)16;2*1-2/h2-11H,1H3;2*1-2H3
InChIKeyAFBUWPUJGPBXFX-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.94
Rot. Bonds3

About ethane;1-(3-methoxyphenyl)sulfonylindole

ethane;1-(3-methoxyphenyl)sulfonylindole (PubChem CID 157094822) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is ethane;1-(3-methoxyphenyl)sulfonylindole.

Molecular Properties

Compound Nameethane;1-(3-methoxyphenyl)sulfonylindole
PubChem CID157094822
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Nameethane;1-(3-methoxyphenyl)sulfonylindole
SMILESCC.CC.COc1cccc(S(=O)(=O)n2ccc3ccccc32)c1
InChIInChI=1S/C15H13NO3S.2C2H6/c1-19-13-6-4-7-14(11-13)20(17,18)16-10-9-12-5-2-3-8-15(12)16;2*1-2/h2-11H,1H3;2*1-2H3
InChIKeyAFBUWPUJGPBXFX-UHFFFAOYSA-N
XLogP4.94
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole
CID 141441909
1-(3-bromo-4-methylphenyl)sulfonylindole
CID 66766050
1-(4-chlorophenyl)sulfonylindole
CID 4689237
2-fluoro-5-indol-1-ylsulfonylaniline
CID 71494011
2-bromo-1-(3-methoxyphenyl)sulfonyl-4-methylpyrrole
CID 175217453
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole
CID 71493853
1-(2-methylphenyl)sulfonylindole
CID 53400635
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxyphenyl)sulfonylindole?
The IUPAC name of ethane;1-(3-methoxyphenyl)sulfonylindole (CID 157094822) is ethane;1-(3-methoxyphenyl)sulfonylindole.
What is the SMILES notation for ethane;1-(3-methoxyphenyl)sulfonylindole?
The canonical SMILES for ethane;1-(3-methoxyphenyl)sulfonylindole is CC.CC.COc1cccc(S(=O)(=O)n2ccc3ccccc32)c1.
What is the InChIKey of ethane;1-(3-methoxyphenyl)sulfonylindole?
The InChIKey is AFBUWPUJGPBXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S.2C2H6/c1-19-13-6-4-7-14(11-13)20(17,18)16-10-9-12-5-2-3-8-15(12)16;2*1-2/h2-11H,1H3;2*1-2H3.
What are the key properties of ethane;1-(3-methoxyphenyl)sulfonylindole?
ethane;1-(3-methoxyphenyl)sulfonylindole has a molecular weight of 347.48 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxyphenyl)sulfonylindole is sourced from PubChem (CID 157094822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).