2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C18H17F2N5O3S — CID 56672171

IUPAC2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESO=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F
InChIInChI=1S/C18H17F2N5O3S/c19-13-3-4-14(24-29(27,28)25-7-1-2-8-25)16(20)15(13)18(26)23-12-9-11-5-6-21-17(11)22-10-12/h3-6,9-10,24H,1-2,7-8H2,(H,21,22)(H,23,26)
InChIKeyBDZQIZJQADZWHE-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.85
Rot. Bonds5

About 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 56672171) has the molecular formula C18H17F2N5O3S and a molecular weight of 421.43 g/mol. Its IUPAC name is 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID56672171
Molecular FormulaC18H17F2N5O3S
Molecular Weight421.43 g/mol
Exact Mass421.10
IUPAC Name2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESO=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F
InChIInChI=1S/C18H17F2N5O3S/c19-13-3-4-14(24-29(27,28)25-7-1-2-8-25)16(20)15(13)18(26)23-12-9-11-5-6-21-17(11)22-10-12/h3-6,9-10,24H,1-2,7-8H2,(H,21,22)(H,23,26)
InChIKeyBDZQIZJQADZWHE-UHFFFAOYSA-N
XLogP2.85
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide 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 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 56672171) is 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F.
What is the InChIKey of 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is BDZQIZJQADZWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O3S/c19-13-3-4-14(24-29(27,28)25-7-1-2-8-25)16(20)15(13)18(26)23-12-9-11-5-6-21-17(11)22-10-12/h3-6,9-10,24H,1-2,7-8H2,(H,21,22)(H,23,26).
What are the key properties of 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 421.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 56672171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).