[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide

C13H11ClN4O2S — CID 175782488

IUPAC[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1cc(-c2c[nH]c3ncccc23)cnc1Cl
InChIInChI=1S/C13H11ClN4O2S/c14-12-9(7-21(15,19)20)4-8(5-17-12)11-6-18-13-10(11)2-1-3-16-13/h1-6H,7H2,(H,16,18)(H2,15,19,20)
InChIKeyWWOIEXIZTCGONZ-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.07
Rot. Bonds3

About [2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide

[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 175782488) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is [2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound Name[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide
PubChem CID175782488
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1cc(-c2c[nH]c3ncccc23)cnc1Cl
InChIInChI=1S/C13H11ClN4O2S/c14-12-9(7-21(15,19)20)4-8(5-17-12)11-6-18-13-10(11)2-1-3-16-13/h1-6H,7H2,(H,16,18)(H2,15,19,20)
InChIKeyWWOIEXIZTCGONZ-UHFFFAOYSA-N
XLogP2.07
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of [2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide (CID 175782488) is [2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for [2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for [2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide is NS(=O)(=O)Cc1cc(-c2c[nH]c3ncccc23)cnc1Cl.
What is the InChIKey of [2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is WWOIEXIZTCGONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c14-12-9(7-21(15,19)20)4-8(5-17-12)11-6-18-13-10(11)2-1-3-16-13/h1-6H,7H2,(H,16,18)(H2,15,19,20).
What are the key properties of [2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide?
[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 322.78 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 175782488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).