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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Related Compounds

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CID 2738763
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 2812612
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 67970190
2-[5-(trifluoromethylsulfonyl)thiophen-2-yl]pyridine
CID 70975076
5-pyridin-2-yl-N-(thiophen-2-ylmethylideneamino)thiophene-2-sulfonamide
CID 2820420
N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide
CID 67819520
ethane;2-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 145385089
5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 90555814
(2S)-3-(2-methoxyphenyl)-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanoic acid
CID 174220600
5-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 58086295
N-benzyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083784

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).