1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine

C17H17N3O2S — CID 44624098

IUPAC1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc([C@@H]2CCNC2)c2ncccc21
InChIInChI=1S/C17H17N3O2S/c21-23(22,14-5-2-1-3-6-14)20-12-15(13-8-10-18-11-13)17-16(20)7-4-9-19-17/h1-7,9,12-13,18H,8,10-11H2/t13-/m1/s1
InChIKeyJEIAMLXCSDJFJX-CYBMUJFWSA-N
MW327.41 g/mol
LogP2.35
Rot. Bonds3

About 1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine

1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine (PubChem CID 44624098) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine
PubChem CID44624098
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1cc([C@@H]2CCNC2)c2ncccc21
InChIInChI=1S/C17H17N3O2S/c21-23(22,14-5-2-1-3-6-14)20-12-15(13-8-10-18-11-13)17-16(20)7-4-9-19-17/h1-7,9,12-13,18H,8,10-11H2/t13-/m1/s1
InChIKeyJEIAMLXCSDJFJX-CYBMUJFWSA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine (CID 44624098) is 1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine is O=S(=O)(c1ccccc1)n1cc([C@@H]2CCNC2)c2ncccc21.
What is the InChIKey of 1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine?
The InChIKey is JEIAMLXCSDJFJX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-23(22,14-5-2-1-3-6-14)20-12-15(13-8-10-18-11-13)17-16(20)7-4-9-19-17/h1-7,9,12-13,18H,8,10-11H2/t13-/m1/s1.
What are the key properties of 1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine?
1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine has a molecular weight of 327.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 44624098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).