1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

C21H19ClN4O2S — CID 164618879

IUPAC1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H19ClN4O2S/c22-17-6-2-4-8-19(17)29(27,28)26-12-9-16-20(26)15-5-1-3-7-18(15)24-21(16)25-13-10-23-11-14-25/h1-9,12,23H,10-11,13-14H2
InChIKeyGEYRFBPSJONYCH-UHFFFAOYSA-N
MW426.93 g/mol
LogP3.49
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 164618879) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID164618879
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H19ClN4O2S/c22-17-6-2-4-8-19(17)29(27,28)26-12-9-16-20(26)15-5-1-3-7-18(15)24-21(16)25-13-10-23-11-14-25/h1-9,12,23H,10-11,13-14H2
InChIKeyGEYRFBPSJONYCH-UHFFFAOYSA-N
XLogP3.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 164618879) is 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is O=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is GEYRFBPSJONYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c22-17-6-2-4-8-19(17)29(27,28)26-12-9-16-20(26)15-5-1-3-7-18(15)24-21(16)25-13-10-23-11-14-25/h1-9,12,23H,10-11,13-14H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 426.93 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 164618879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).