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

C17H14N4O2S2 — CID 58087312

IUPAC5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc2cccnc2[nH]1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C17H14N4O2S2/c22-25(23,16-7-6-15(24-16)14-5-1-2-8-18-14)20-11-13-10-12-4-3-9-19-17(12)21-13/h1-10,20H,11H2,(H,19,21)
InChIKeyFRWWXUJNHHLMOW-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.16
Rot. Bonds5

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

5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 58087312) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID58087312
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc2cccnc2[nH]1)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C17H14N4O2S2/c22-25(23,16-7-6-15(24-16)14-5-1-2-8-18-14)20-11-13-10-12-4-3-9-19-17(12)21-13/h1-10,20H,11H2,(H,19,21)
InChIKeyFRWWXUJNHHLMOW-UHFFFAOYSA-N
XLogP3.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide (CID 58087312) is 5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1cc2cccnc2[nH]1)c1ccc(-c2ccccn2)s1.
What is the InChIKey of 5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is FRWWXUJNHHLMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c22-25(23,16-7-6-15(24-16)14-5-1-2-8-18-14)20-11-13-10-12-4-3-9-19-17(12)21-13/h1-10,20H,11H2,(H,19,21).
What are the key properties of 5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide?
5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 370.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 58087312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).