1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole

C24H24F2N4O2S — CID 118678043

IUPAC1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C24H24F2N4O2S/c1-24(2)11-16(15-30(24)33(31,32)22-5-3-4-20(25)23(22)26)14-29-9-8-18-10-17(6-7-21(18)29)19-12-27-28-13-19/h3-10,12-13,16H,11,14-15H2,1-2H3,(H,27,28)
InChIKeyJZSSRLBXDPKQOM-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.80
Rot. Bonds5

About 1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole

1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole (PubChem CID 118678043) has the molecular formula C24H24F2N4O2S and a molecular weight of 470.55 g/mol. Its IUPAC name is 1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
PubChem CID118678043
Molecular FormulaC24H24F2N4O2S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole
SMILESCC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C24H24F2N4O2S/c1-24(2)11-16(15-30(24)33(31,32)22-5-3-4-20(25)23(22)26)14-29-9-8-18-10-17(6-7-21(18)29)19-12-27-28-13-19/h3-10,12-13,16H,11,14-15H2,1-2H3,(H,27,28)
InChIKeyJZSSRLBXDPKQOM-UHFFFAOYSA-N
XLogP4.80
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The IUPAC name of 1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole (CID 118678043) is 1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole is CC1(C)CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1cccc(F)c1F.
What is the InChIKey of 1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
The InChIKey is JZSSRLBXDPKQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2S/c1-24(2)11-16(15-30(24)33(31,32)22-5-3-4-20(25)23(22)26)14-29-9-8-18-10-17(6-7-21(18)29)19-12-27-28-13-19/h3-10,12-13,16H,11,14-15H2,1-2H3,(H,27,28).
What are the key properties of 1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole?
1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole has a molecular weight of 470.55 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,3-difluorophenyl)sulfonyl-5,5-dimethylpyrrolidin-3-yl]methyl]-5-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 118678043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).