2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C17H21ClN4O2S — CID 120876916

IUPAC2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESO=S(=O)(c1cn2c(n1)CCCC2)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C17H21ClN4O2S/c18-14-5-3-4-13(10-14)15-11-19-7-9-22(15)25(23,24)17-12-21-8-2-1-6-16(21)20-17/h3-5,10,12,15,19H,1-2,6-9,11H2
InChIKeyNINJCAPZVUHZMI-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.21
Rot. Bonds3

About 2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 120876916) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID120876916
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Name2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESO=S(=O)(c1cn2c(n1)CCCC2)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C17H21ClN4O2S/c18-14-5-3-4-13(10-14)15-11-19-7-9-22(15)25(23,24)17-12-21-8-2-1-6-16(21)20-17/h3-5,10,12,15,19H,1-2,6-9,11H2
InChIKeyNINJCAPZVUHZMI-UHFFFAOYSA-N
XLogP2.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride
CID 120876763
2-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120876816
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
CID 120777039
2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
CID 120776752
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120776788
5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120776773
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
2-(3-chlorophenyl)-1-(4-methyl-3-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120776785
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 120776845
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate;hydrochloride
CID 120777003
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 120776944

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 120876916) is 2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is O=S(=O)(c1cn2c(n1)CCCC2)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is NINJCAPZVUHZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c18-14-5-3-4-13(10-14)15-11-19-7-9-22(15)25(23,24)17-12-21-8-2-1-6-16(21)20-17/h3-5,10,12,15,19H,1-2,6-9,11H2.
What are the key properties of 2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 380.90 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 120876916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).