3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole

C24H23N3O2S — CID 10409736

IUPAC3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole
SMILESO=S(=O)(c1ccccc1)c1nn(C2CCN(Cc3ccccc3)C2)c2ccccc12
InChIInChI=1S/C24H23N3O2S/c28-30(29,21-11-5-2-6-12-21)24-22-13-7-8-14-23(22)27(25-24)20-15-16-26(18-20)17-19-9-3-1-4-10-19/h1-14,20H,15-18H2
InChIKeyFOUDZMZUEYDVRY-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.32
Rot. Bonds5

About 3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole

3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole (PubChem CID 10409736) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole
PubChem CID10409736
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole
SMILESO=S(=O)(c1ccccc1)c1nn(C2CCN(Cc3ccccc3)C2)c2ccccc12
InChIInChI=1S/C24H23N3O2S/c28-30(29,21-11-5-2-6-12-21)24-22-13-7-8-14-23(22)27(25-24)20-15-16-26(18-20)17-19-9-3-1-4-10-19/h1-14,20H,15-18H2
InChIKeyFOUDZMZUEYDVRY-UHFFFAOYSA-N
XLogP4.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)imidazole
CID 18712879
1-(1-benzylpyrrolidin-3-yl)-1,2,4-triazol-3-amine
CID 130775574
N-[1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-yl]ethanesulfonamide
CID 86799085
N-[1-[(3R)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]ethanesulfonamide
CID 99627695
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
1-(4-benzylphenyl)sulfonyl-3-(1-benzylpyrrolidin-3-yl)indole
CID 141064066
1-(1-benzylpyrrolidin-3-yl)-4-naphthalen-1-ylsulfonylpiperazine
CID 173116229
1-(benzenesulfonyl)-4-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 11712336
3-(benzenesulfonyl)-5-(4-benzylpiperazin-1-yl)triazolo[1,5-a]quinazoline
CID 16807303
1-(1-benzylpiperidin-3-yl)-3-cyclohexa-1,5-dien-1-ylsulfonylindole
CID 142854286
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
N'-[1-[(3S)-1-benzylpyrrolidin-3-yl]-4-methylpyrazol-5-yl]-N-methyloxamide
CID 97073584

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole?
The IUPAC name of 3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole (CID 10409736) is 3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole?
The canonical SMILES for 3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole is O=S(=O)(c1ccccc1)c1nn(C2CCN(Cc3ccccc3)C2)c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole?
The InChIKey is FOUDZMZUEYDVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c28-30(29,21-11-5-2-6-12-21)24-22-13-7-8-14-23(22)27(25-24)20-15-16-26(18-20)17-19-9-3-1-4-10-19/h1-14,20H,15-18H2.
What are the key properties of 3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole?
3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole has a molecular weight of 417.53 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(1-benzylpyrrolidin-3-yl)indazole is sourced from PubChem (CID 10409736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).