1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole

C23H21N3O4S2 — CID 75536049

IUPAC1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole
SMILESO=S(=O)(c1ccccc1)N1CC[C@H](c2nc3ccccc3n2S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H21N3O4S2/c27-31(28,19-9-3-1-4-10-19)25-16-15-18(17-25)23-24-21-13-7-8-14-22(21)26(23)32(29,30)20-11-5-2-6-12-20/h1-14,18H,15-17H2/t18-/m0/s1
InChIKeyJUVYVFSTXMFEII-SFHVURJKSA-N
MW467.57 g/mol
LogP3.45
Rot. Bonds5

About 1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole

1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole (PubChem CID 75536049) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole
PubChem CID75536049
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole
SMILESO=S(=O)(c1ccccc1)N1CC[C@H](c2nc3ccccc3n2S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H21N3O4S2/c27-31(28,19-9-3-1-4-10-19)25-16-15-18(17-25)23-24-21-13-7-8-14-22(21)26(23)32(29,30)20-11-5-2-6-12-20/h1-14,18H,15-17H2/t18-/m0/s1
InChIKeyJUVYVFSTXMFEII-SFHVURJKSA-N
XLogP3.45
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)sulfonyl-2-cyclopropylbenzimidazole
CID 43813838
1-methyl-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)benzimidazole
CID 91947112
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 131673418
4-(3-phenylpyrrolidin-1-yl)sulfonylphenol
CID 62133605
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-4-methylpyrimidine
CID 175652445
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
CID 91911685
3-methyl-2-[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-c]pyridine
CID 83275870
2-[(3R)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110331
methyl 4-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]sulfonylbenzoate
CID 96528741
3-methyl-2-[(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110344

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole (CID 75536049) is 1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole is O=S(=O)(c1ccccc1)N1CC[C@H](c2nc3ccccc3n2S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole?
The InChIKey is JUVYVFSTXMFEII-SFHVURJKSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c27-31(28,19-9-3-1-4-10-19)25-16-15-18(17-25)23-24-21-13-7-8-14-22(21)26(23)32(29,30)20-11-5-2-6-12-20/h1-14,18H,15-17H2/t18-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole?
1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole has a molecular weight of 467.57 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]benzimidazole is sourced from PubChem (CID 75536049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).