1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole

C23H28N4O2S — CID 134823383

IUPAC1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole
SMILESC[C@H]1CC(Cn2ccc3cc(C4CNNC4)ccc32)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H28N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12,17-18,21,24-25H,11,13-16H2,1H3/t17-,18?/m0/s1
InChIKeyAZAYNPVTBNJBGJ-ZENAZSQFSA-N
MW424.57 g/mol
LogP2.93
Rot. Bonds5

About 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole

1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole (PubChem CID 134823383) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole.

Molecular Properties

Compound Name1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole
PubChem CID134823383
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole
SMILESC[C@H]1CC(Cn2ccc3cc(C4CNNC4)ccc32)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H28N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12,17-18,21,24-25H,11,13-16H2,1H3/t17-,18?/m0/s1
InChIKeyAZAYNPVTBNJBGJ-ZENAZSQFSA-N
XLogP2.93
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole?
The IUPAC name of 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole (CID 134823383) is 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole.
What is the SMILES notation for 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole?
The canonical SMILES for 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole is C[C@H]1CC(Cn2ccc3cc(C4CNNC4)ccc32)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole?
The InChIKey is AZAYNPVTBNJBGJ-ZENAZSQFSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12,17-18,21,24-25H,11,13-16H2,1H3/t17-,18?/m0/s1.
What are the key properties of 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole?
1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole has a molecular weight of 424.57 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5S)-1-(benzenesulfonyl)-5-methylpyrrolidin-3-yl]methyl]-5-pyrazolidin-4-ylindole is sourced from PubChem (CID 134823383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).