3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine

C17H18N4O2S — CID 10149997

IUPAC3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)nccc12
InChIInChI=1S/C17H18N4O2S/c22-24(23,13-4-2-1-3-5-13)15-12-20-16-14(15)6-7-19-17(16)21-10-8-18-9-11-21/h1-7,12,18,20H,8-11H2
InChIKeyWHLLZNPWIBHYQY-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.81
Rot. Bonds3

About 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine

3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 10149997) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine
PubChem CID10149997
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)nccc12
InChIInChI=1S/C17H18N4O2S/c22-24(23,13-4-2-1-3-5-13)15-12-20-16-14(15)6-7-19-17(16)21-10-8-18-9-11-21/h1-7,12,18,20H,8-11H2
InChIKeyWHLLZNPWIBHYQY-UHFFFAOYSA-N
XLogP1.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine (CID 10149997) is 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine is O=S(=O)(c1ccccc1)c1c[nH]c2c(N3CCNCC3)nccc12.
What is the InChIKey of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is WHLLZNPWIBHYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-24(23,13-4-2-1-3-5-13)15-12-20-16-14(15)6-7-19-17(16)21-10-8-18-9-11-21/h1-7,12,18,20H,8-11H2.
What are the key properties of 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine?
3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 342.42 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-piperazin-1-yl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 10149997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).