4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine

C17H17N3O2S — CID 23648920

IUPAC4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCCC1
InChIInChI=1S/C17H17N3O2S/c21-23(22,20-11-1-2-12-20)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10H,1-2,11-12H2,(H,18,19)
InChIKeyVJXSEEBNAAMNLS-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.01
Rot. Bonds3

About 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine

4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 23648920) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID23648920
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCCC1
InChIInChI=1S/C17H17N3O2S/c21-23(22,20-11-1-2-12-20)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10H,1-2,11-12H2,(H,18,19)
InChIKeyVJXSEEBNAAMNLS-UHFFFAOYSA-N
XLogP3.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 23648920) is 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine is O=S(=O)(c1ccc(-c2ccnc3[nH]ccc23)cc1)N1CCCC1.
What is the InChIKey of 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VJXSEEBNAAMNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-23(22,20-11-1-2-12-20)14-5-3-13(4-6-14)15-7-9-18-17-16(15)8-10-19-17/h3-10H,1-2,11-12H2,(H,18,19).
What are the key properties of 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 327.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 23648920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).