6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole

C21H16F2N2O2S — CID 141441934

IUPAC6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole
SMILESCc1ccc(Cc2ccc3ccn(S(=O)(=O)c4cccnc4)c3c2)c(F)c1F
InChIInChI=1S/C21H16F2N2O2S/c1-14-4-6-17(21(23)20(14)22)11-15-5-7-16-8-10-25(19(16)12-15)28(26,27)18-3-2-9-24-13-18/h2-10,12-13H,11H2,1H3
InChIKeyXWLMLMLKTRVOLK-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.45
Rot. Bonds4

About 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole

6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole (PubChem CID 141441934) has the molecular formula C21H16F2N2O2S and a molecular weight of 398.43 g/mol. Its IUPAC name is 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole.

Molecular Properties

Compound Name6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole
PubChem CID141441934
Molecular FormulaC21H16F2N2O2S
Molecular Weight398.43 g/mol
Exact Mass398.09
IUPAC Name6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole
SMILESCc1ccc(Cc2ccc3ccn(S(=O)(=O)c4cccnc4)c3c2)c(F)c1F
InChIInChI=1S/C21H16F2N2O2S/c1-14-4-6-17(21(23)20(14)22)11-15-5-7-16-8-10-25(19(16)12-15)28(26,27)18-3-2-9-24-13-18/h2-10,12-13H,11H2,1H3
InChIKeyXWLMLMLKTRVOLK-UHFFFAOYSA-N
XLogP4.45
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole
CID 141441936
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole
CID 141441884
6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole
CID 141441909
6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole
CID 174792264
2-fluoro-N,3-dimethyl-N-[(1-pyridin-3-ylsulfonylindol-3-yl)methyl]aniline
CID 141441903
6-(6-chloropyrimidin-4-yl)oxy-1-pyridin-3-ylsulfonylindole
CID 141441836
formic acid;6-(4-methyl-1,4-diazepan-1-yl)-1-pyridin-3-ylsulfonylindole
CID 158586511
[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate
CID 134346738
2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 175088530
1-[5-(2,5-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66925096
methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate
CID 174792232
N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine
CID 174792289

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole?
The IUPAC name of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole (CID 141441934) is 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole.
What is the SMILES notation for 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole?
The canonical SMILES for 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole is Cc1ccc(Cc2ccc3ccn(S(=O)(=O)c4cccnc4)c3c2)c(F)c1F.
What is the InChIKey of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole?
The InChIKey is XWLMLMLKTRVOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2S/c1-14-4-6-17(21(23)20(14)22)11-15-5-7-16-8-10-25(19(16)12-15)28(26,27)18-3-2-9-24-13-18/h2-10,12-13H,11H2,1H3.
What are the key properties of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole?
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole has a molecular weight of 398.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole is sourced from PubChem (CID 141441934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).