1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole

C20H18N2O2S — CID 150247022

IUPAC1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole
SMILESCn1cc(-c2c[nH]cc2-c2ccc(S(C)(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C20H18N2O2S/c1-22-13-19(16-5-3-4-6-20(16)22)18-12-21-11-17(18)14-7-9-15(10-8-14)25(2,23)24/h3-13,21H,1-2H3
InChIKeyFYSPBFLSTROOQQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.24
Rot. Bonds3

About 1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole

1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole (PubChem CID 150247022) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole.

Molecular Properties

Compound Name1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole
PubChem CID150247022
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole
SMILESCn1cc(-c2c[nH]cc2-c2ccc(S(C)(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C20H18N2O2S/c1-22-13-19(16-5-3-4-6-20(16)22)18-12-21-11-17(18)14-7-9-15(10-8-14)25(2,23)24/h3-13,21H,1-2H3
InChIKeyFYSPBFLSTROOQQ-UHFFFAOYSA-N
XLogP4.24
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
1-methyl-3-(4-methylphenyl)indole
CID 58931542
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indol-6-ol
CID 140996470
1-methyl-5-(4-methylsulfonylphenyl)indole-3-carboxylic acid
CID 172654724
2-(1-methylindol-3-yl)phenol
CID 154709769
2-(1-methylindol-3-yl)aniline
CID 138983733
4-(2-fluoro-5-methylsulfonylphenyl)-2-methylisoquinolin-1-one
CID 118021901
3,4-bis(1-methylindol-3-yl)furan-2,5-dione
CID 14525661
4-(4-methylsulfonylphenyl)naphthalene-1-carbaldehyde
CID 171127399
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
1-methylindole-3-sulfonamide
CID 18331867
1-methylindole-3-sulfonyl chloride
CID 55280184

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole?
The IUPAC name of 1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole (CID 150247022) is 1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole.
What is the SMILES notation for 1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole?
The canonical SMILES for 1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole is Cn1cc(-c2c[nH]cc2-c2ccc(S(C)(=O)=O)cc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole?
The InChIKey is FYSPBFLSTROOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-22-13-19(16-5-3-4-6-20(16)22)18-12-21-11-17(18)14-7-9-15(10-8-14)25(2,23)24/h3-13,21H,1-2H3.
What are the key properties of 1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole?
1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole has a molecular weight of 350.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]indole is sourced from PubChem (CID 150247022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).