[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol

C24H25N3O5S2 — CID 70922929

IUPAC[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESO=S(=O)(c1ccc(-c2ccnc3c2CC(CO)N3S(=O)(=O)c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C24H25N3O5S2/c28-17-19-16-23-22(18-8-10-21(11-9-18)33(29,30)26-14-4-5-15-26)12-13-25-24(23)27(19)34(31,32)20-6-2-1-3-7-20/h1-3,6-13,19,28H,4-5,14-17H2
InChIKeyQFXBLGNLFFPGIU-UHFFFAOYSA-N
MW499.61 g/mol
LogP2.65
Rot. Bonds6

About [1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol

[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol (PubChem CID 70922929) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol
PubChem CID70922929
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC Name[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol
SMILESO=S(=O)(c1ccc(-c2ccnc3c2CC(CO)N3S(=O)(=O)c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C24H25N3O5S2/c28-17-19-16-23-22(18-8-10-21(11-9-18)33(29,30)26-14-4-5-15-26)12-13-25-24(23)27(19)34(31,32)20-6-2-1-3-7-20/h1-3,6-13,19,28H,4-5,14-17H2
InChIKeyQFXBLGNLFFPGIU-UHFFFAOYSA-N
XLogP2.65
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-2-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine
CID 68635063
2-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53218491
[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methyl hydrogen sulfite
CID 89292273
2-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224682
1-(benzenesulfonyl)-2-(difluoromethyl)-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine
CID 71122676
2-benzyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 24985454
[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 24985458
4-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]benzoic acid
CID 70922935
3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224683
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90585694
[1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 91467228
2-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethynyl-trimethyl-λ4-sulfane;ethane
CID 143647072

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol (CID 70922929) is [1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol is O=S(=O)(c1ccc(-c2ccnc3c2CC(CO)N3S(=O)(=O)c2ccccc2)cc1)N1CCCC1.
What is the InChIKey of [1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol?
The InChIKey is QFXBLGNLFFPGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c28-17-19-16-23-22(18-8-10-21(11-9-18)33(29,30)26-14-4-5-15-26)12-13-25-24(23)27(19)34(31,32)20-6-2-1-3-7-20/h1-3,6-13,19,28H,4-5,14-17H2.
What are the key properties of [1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol?
[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol has a molecular weight of 499.61 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 70922929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).