1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

C22H20ClN5O2S — CID 162676953

IUPAC1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1cccc(Cl)c1)n1c(-c2ccccc2)nc2c(N3CCNCC3)nccc21
InChIInChI=1S/C22H20ClN5O2S/c23-17-7-4-8-18(15-17)31(29,30)28-19-9-10-25-22(27-13-11-24-12-14-27)20(19)26-21(28)16-5-2-1-3-6-16/h1-10,15,24H,11-14H2
InChIKeyJHVGQSBTPJECOW-UHFFFAOYSA-N
MW453.96 g/mol
LogP3.40
Rot. Bonds4

About 1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (PubChem CID 162676953) has the molecular formula C22H20ClN5O2S and a molecular weight of 453.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
PubChem CID162676953
Molecular FormulaC22H20ClN5O2S
Molecular Weight453.96 g/mol
Exact Mass453.10
IUPAC Name1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1cccc(Cl)c1)n1c(-c2ccccc2)nc2c(N3CCNCC3)nccc21
InChIInChI=1S/C22H20ClN5O2S/c23-17-7-4-8-18(15-17)31(29,30)28-19-9-10-25-22(27-13-11-24-12-14-27)20(19)26-21(28)16-5-2-1-3-6-16/h1-10,15,24H,11-14H2
InChIKeyJHVGQSBTPJECOW-UHFFFAOYSA-N
XLogP3.40
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.96
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (CID 162676953) is 1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is O=S(=O)(c1cccc(Cl)c1)n1c(-c2ccccc2)nc2c(N3CCNCC3)nccc21.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is JHVGQSBTPJECOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2S/c23-17-7-4-8-18(15-17)31(29,30)28-19-9-10-25-22(27-13-11-24-12-14-27)20(19)26-21(28)16-5-2-1-3-6-16/h1-10,15,24H,11-14H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 453.96 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 162676953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).