6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole

C22H16F3NO2S — CID 141441936

IUPAC6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole
SMILESCc1ccc(Cc2ccc3ccn(S(=O)(=O)c4cccc(F)c4)c3c2)c(F)c1F
InChIInChI=1S/C22H16F3NO2S/c1-14-5-7-17(22(25)21(14)24)11-15-6-8-16-9-10-26(20(16)12-15)29(27,28)19-4-2-3-18(23)13-19/h2-10,12-13H,11H2,1H3
InChIKeyJWVUPAXZICEZJZ-UHFFFAOYSA-N
MW415.44 g/mol
LogP5.19
Rot. Bonds4

About 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole

6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole (PubChem CID 141441936) has the molecular formula C22H16F3NO2S and a molecular weight of 415.44 g/mol. Its IUPAC name is 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole.

Molecular Properties

Compound Name6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole
PubChem CID141441936
Molecular FormulaC22H16F3NO2S
Molecular Weight415.44 g/mol
Exact Mass415.09
IUPAC Name6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole
SMILESCc1ccc(Cc2ccc3ccn(S(=O)(=O)c4cccc(F)c4)c3c2)c(F)c1F
InChIInChI=1S/C22H16F3NO2S/c1-14-5-7-17(22(25)21(14)24)11-15-6-8-16-9-10-26(20(16)12-15)29(27,28)19-4-2-3-18(23)13-19/h2-10,12-13H,11H2,1H3
InChIKeyJWVUPAXZICEZJZ-UHFFFAOYSA-N
XLogP5.19
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole
CID 141441884
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole
CID 141441934
6-[(2-chloro-4-methylphenyl)methyl]-1-(3-methoxyphenyl)sulfonylindole
CID 141441909
6-(chloromethyl)-1-(4-methylphenyl)sulfonylindole
CID 14882501
1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965682
1-(3-bromo-4-methylphenyl)sulfonylindole
CID 66766050
(E)-3-[3-[6-(2,2-dimethylpropyl)indol-1-yl]sulfonylphenyl]-N-hydroxyprop-2-enamide
CID 156542412
[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486173
3-indol-1-ylsulfonylphenol
CID 59272903
6-bromo-1-(2-methylphenyl)sulfonylindole
CID 66766049
1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
ethane;1-(3-methoxyphenyl)sulfonylindole
CID 157094822

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole?
The IUPAC name of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole (CID 141441936) is 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole.
What is the SMILES notation for 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole?
The canonical SMILES for 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole is Cc1ccc(Cc2ccc3ccn(S(=O)(=O)c4cccc(F)c4)c3c2)c(F)c1F.
What is the InChIKey of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole?
The InChIKey is JWVUPAXZICEZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO2S/c1-14-5-7-17(22(25)21(14)24)11-15-6-8-16-9-10-26(20(16)12-15)29(27,28)19-4-2-3-18(23)13-19/h2-10,12-13H,11H2,1H3.
What are the key properties of 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole?
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole has a molecular weight of 415.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-difluoro-4-methylphenyl)methyl]-1-(3-fluorophenyl)sulfonylindole is sourced from PubChem (CID 141441936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).