1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine

C17H18N4O2S — CID 67156504

IUPAC1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nccc21
InChIInChI=1S/C17H18N4O2S/c22-24(23,14-4-2-1-3-5-14)21-11-7-15-16(21)6-8-19-17(15)20-12-9-18-10-13-20/h1-8,11,18H,9-10,12-13H2
InChIKeyDIAFQUNSIKOTAR-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.68
Rot. Bonds3

About 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine

1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine (PubChem CID 67156504) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
PubChem CID67156504
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nccc21
InChIInChI=1S/C17H18N4O2S/c22-24(23,14-4-2-1-3-5-14)21-11-7-15-16(21)6-8-19-17(15)20-12-9-18-10-13-20/h1-8,11,18H,9-10,12-13H2
InChIKeyDIAFQUNSIKOTAR-UHFFFAOYSA-N
XLogP1.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine (CID 67156504) is 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine is O=S(=O)(c1ccccc1)n1ccc2c(N3CCNCC3)nccc21.
What is the InChIKey of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine?
The InChIKey is DIAFQUNSIKOTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,14-4-2-1-3-5-14)21-11-7-15-16(21)6-8-19-17(15)20-12-9-18-10-13-20/h1-8,11,18H,9-10,12-13H2.
What are the key properties of 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine?
1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine has a molecular weight of 342.42 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 67156504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).