4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide

C17H18ClN3O2S — CID 1157247

IUPAC4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H18ClN3O2S/c1-3-21(4-2)24(22,23)15-8-5-13(6-9-15)16-12-20-11-14(18)7-10-17(20)19-16/h5-12H,3-4H2,1-2H3
InChIKeyRFLWGSKFCPCEHC-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.69
Rot. Bonds5

About 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide

4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide (PubChem CID 1157247) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
PubChem CID1157247
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H18ClN3O2S/c1-3-21(4-2)24(22,23)15-8-5-13(6-9-15)16-12-20-11-14(18)7-10-17(20)19-16/h5-12H,3-4H2,1-2H3
InChIKeyRFLWGSKFCPCEHC-UHFFFAOYSA-N
XLogP3.69
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide (CID 1157247) is 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide?
The InChIKey is RFLWGSKFCPCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-3-21(4-2)24(22,23)15-8-5-13(6-9-15)16-12-20-11-14(18)7-10-17(20)19-16/h5-12H,3-4H2,1-2H3.
What are the key properties of 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide?
4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide has a molecular weight of 363.87 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 1157247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).