5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide

C11H9N3O2S2 — CID 70730320

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C11H9N3O2S2/c12-18(15,16)10-2-1-9(17-10)7-3-5-13-11-8(7)4-6-14-11/h1-6H,(H,13,14)(H2,12,15,16)
InChIKeyWDODWBKVHVOJMP-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.94
Rot. Bonds2

About 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide

5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide (PubChem CID 70730320) has the molecular formula C11H9N3O2S2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
PubChem CID70730320
Molecular FormulaC11H9N3O2S2
Molecular Weight279.35 g/mol
Exact Mass279.01
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C11H9N3O2S2/c12-18(15,16)10-2-1-9(17-10)7-3-5-13-11-8(7)4-6-14-11/h1-6H,(H,13,14)(H2,12,15,16)
InChIKeyWDODWBKVHVOJMP-UHFFFAOYSA-N
XLogP1.94
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide (CID 70730320) is 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)s1.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide?
The InChIKey is WDODWBKVHVOJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S2/c12-18(15,16)10-2-1-9(17-10)7-3-5-13-11-8(7)4-6-14-11/h1-6H,(H,13,14)(H2,12,15,16).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide?
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide has a molecular weight of 279.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 70730320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).