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

C25H23N3O5S2 — CID 59744567

IUPAC1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H23N3O5S2/c1-18(29)24-17-23-22(19-9-11-21(12-10-19)34(30,31)27-15-5-6-16-27)13-14-26-25(23)28(24)35(32,33)20-7-3-2-4-8-20/h2-4,7-14,17H,5-6,15-16H2,1H3
InChIKeyQCWRSHHWBWQOLC-UHFFFAOYSA-N
MW509.61 g/mol
LogP3.93
Rot. Bonds6

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

1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone (PubChem CID 59744567) has the molecular formula C25H23N3O5S2 and a molecular weight of 509.61 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
PubChem CID59744567
Molecular FormulaC25H23N3O5S2
Molecular Weight509.61 g/mol
Exact Mass509.11
IUPAC Name1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone
SMILESCC(=O)c1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H23N3O5S2/c1-18(29)24-17-23-22(19-9-11-21(12-10-19)34(30,31)27-15-5-6-16-27)13-14-26-25(23)28(24)35(32,33)20-7-3-2-4-8-20/h2-4,7-14,17H,5-6,15-16H2,1H3
InChIKeyQCWRSHHWBWQOLC-UHFFFAOYSA-N
XLogP3.93
TPSA106.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone (CID 59744567) is 1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone is CC(=O)c1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is QCWRSHHWBWQOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S2/c1-18(29)24-17-23-22(19-9-11-21(12-10-19)34(30,31)27-15-5-6-16-27)13-14-26-25(23)28(24)35(32,33)20-7-3-2-4-8-20/h2-4,7-14,17H,5-6,15-16H2,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone?
1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 509.61 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 59744567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).