1-(4-methoxyphenyl)sulfonyl-3-methylindole

C16H15NO3S — CID 66853930

IUPAC1-(4-methoxyphenyl)sulfonyl-3-methylindole
SMILESCOc1ccc(S(=O)(=O)n2cc(C)c3ccccc32)cc1
InChIInChI=1S/C16H15NO3S/c1-12-11-17(16-6-4-3-5-15(12)16)21(18,19)14-9-7-13(20-2)8-10-14/h3-11H,1-2H3
InChIKeySWKASBXYRCIODS-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.20
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-3-methylindole

1-(4-methoxyphenyl)sulfonyl-3-methylindole (PubChem CID 66853930) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-methylindole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-methylindole
PubChem CID66853930
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-methylindole
SMILESCOc1ccc(S(=O)(=O)n2cc(C)c3ccccc32)cc1
InChIInChI=1S/C16H15NO3S/c1-12-11-17(16-6-4-3-5-15(12)16)21(18,19)14-9-7-13(20-2)8-10-14/h3-11H,1-2H3
InChIKeySWKASBXYRCIODS-UHFFFAOYSA-N
XLogP3.20
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 132561494
methyl 2-[1-(4-methoxyphenyl)sulfonylindol-3-yl]acetate
CID 598937
1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69185093
1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole
CID 66852331
1-(benzenesulfonyl)-3-[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]indole
CID 71694914
3-methylindole-1-sulfonic acid
CID 66799949
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylindole
CID 71493856
methyl (2S)-2-(methoxycarbonylamino)-3-[1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoate
CID 11797628
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
CID 14880458
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)indole
CID 101221610

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-methylindole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-methylindole (CID 66853930) is 1-(4-methoxyphenyl)sulfonyl-3-methylindole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-methylindole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-methylindole is COc1ccc(S(=O)(=O)n2cc(C)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-methylindole?
The InChIKey is SWKASBXYRCIODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-12-11-17(16-6-4-3-5-15(12)16)21(18,19)14-9-7-13(20-2)8-10-14/h3-11H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-methylindole?
1-(4-methoxyphenyl)sulfonyl-3-methylindole has a molecular weight of 301.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-methylindole is sourced from PubChem (CID 66853930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).