2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine

C16H15ClN2O2S — CID 71974621

IUPAC2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine
SMILESCC(c1ccc(Cl)cc1)S(=O)(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C16H15ClN2O2S/c1-12(13-5-7-14(17)8-6-13)22(20,21)11-15-10-19-9-3-2-4-16(19)18-15/h2-10,12H,11H2,1H3
InChIKeyNGRZBWFZWUONSB-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.66
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine

2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine (PubChem CID 71974621) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine
PubChem CID71974621
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine
SMILESCC(c1ccc(Cl)cc1)S(=O)(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C16H15ClN2O2S/c1-12(13-5-7-14(17)8-6-13)22(20,21)11-15-10-19-9-3-2-4-16(19)18-15/h2-10,12H,11H2,1H3
InChIKeyNGRZBWFZWUONSB-UHFFFAOYSA-N
XLogP3.66
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,6-difluorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine
CID 71974623
1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanesulfonamide
CID 165442818
5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline
CID 81175196
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
CID 41463586
(1R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81348736
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 22197062
4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 25350163
4-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-ol
CID 79422982
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
3-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-amine
CID 83877207
(1R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-(4-methoxyphenyl)ethanamine
CID 97088460

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine (CID 71974621) is 2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine is CC(c1ccc(Cl)cc1)S(=O)(=O)Cc1cn2ccccc2n1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is NGRZBWFZWUONSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-12(13-5-7-14(17)8-6-13)22(20,21)11-15-10-19-9-3-2-4-16(19)18-15/h2-10,12H,11H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine?
2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 334.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylsulfonylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 71974621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).