2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C18H19ClN4O2S — CID 42889667

IUPAC2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C18H19ClN4O2S/c19-15-4-3-5-17(12-15)26(24,25)23-10-8-21(9-11-23)13-16-14-22-7-2-1-6-18(22)20-16/h1-7,12,14H,8-11,13H2
InChIKeyLYDSVVCTKVBKID-UHFFFAOYSA-N
MW390.90 g/mol
LogP2.49
Rot. Bonds4

About 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine

2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 42889667) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID42889667
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C18H19ClN4O2S/c19-15-4-3-5-17(12-15)26(24,25)23-10-8-21(9-11-23)13-16-14-22-7-2-1-6-18(22)20-16/h1-7,12,14H,8-11,13H2
InChIKeyLYDSVVCTKVBKID-UHFFFAOYSA-N
XLogP2.49
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 22197062
2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 6464477
5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 146084118
2-[[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 24528669
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11516033
6-bromo-2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 55831602
1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 1364863
2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 8690706
2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 86915603
3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 42931448
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
2-[[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011300

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 42889667) is 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine is O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2cn3ccccc3n2)CC1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is LYDSVVCTKVBKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c19-15-4-3-5-17(12-15)26(24,25)23-10-8-21(9-11-23)13-16-14-22-7-2-1-6-18(22)20-16/h1-7,12,14H,8-11,13H2.
What are the key properties of 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 390.90 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 42889667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).