4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide

C25H25ClN4O3S — CID 46813394

IUPAC4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)ccc1Cl
InChIInChI=1S/C25H25ClN4O3S/c1-4-29(5-2)34(32,33)21-16-19(13-14-20(21)26)25(31)28-24-22(18-11-7-6-8-12-18)27-23-17(3)10-9-15-30(23)24/h6-16H,4-5H2,1-3H3,(H,28,31)
InChIKeyWJDIYXIZXRIFBD-UHFFFAOYSA-N
MW497.02 g/mol
LogP5.25
Rot. Bonds7

About 4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide

4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide (PubChem CID 46813394) has the molecular formula C25H25ClN4O3S and a molecular weight of 497.02 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
PubChem CID46813394
Molecular FormulaC25H25ClN4O3S
Molecular Weight497.02 g/mol
Exact Mass496.13
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)ccc1Cl
InChIInChI=1S/C25H25ClN4O3S/c1-4-29(5-2)34(32,33)21-16-19(13-14-20(21)26)25(31)28-24-22(18-11-7-6-8-12-18)27-23-17(3)10-9-15-30(23)24/h6-16H,4-5H2,1-3H3,(H,28,31)
InChIKeyWJDIYXIZXRIFBD-UHFFFAOYSA-N
XLogP5.25
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.02
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide (CID 46813394) is 4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn23)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
The InChIKey is WJDIYXIZXRIFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3S/c1-4-29(5-2)34(32,33)21-16-19(13-14-20(21)26)25(31)28-24-22(18-11-7-6-8-12-18)27-23-17(3)10-9-15-30(23)24/h6-16H,4-5H2,1-3H3,(H,28,31).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide has a molecular weight of 497.02 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 46813394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).