N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide

C22H20BrClN4O3S — CID 142877200

About N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide

N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide (PubChem CID 142877200) has the molecular formula C22H20BrClN4O3S and a molecular weight of 535.85 g/mol. Its IUPAC name is N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide
• PubChem CID: 142877200
• Molecular Formula: C22H20BrClN4O3S
• Molecular Weight: 535.85 g/mol
• Exact Mass: 534.01
• IUPAC Name: N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C3=C(Cl)C=CCC3C)cn3c(Br)cnc23)cc1
• InChI: InChI=1S/C22H20BrClN4O3S/c1-13-4-3-5-18(24)21(13)15-10-19(22-25-11-20(23)28(22)12-15)27-32(30,31)17-8-6-16(7-9-17)26-14(2)29/h3,5-13,27H,4H2,1-2H3,(H,26,29)
• InChIKey: LSOTYEQVZTUQJV-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 92.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.85
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide (CID 142877200) is N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C3=C(Cl)C=CCC3C)cn3c(Br)cnc23)cc1.

What is the InChIKey of N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide?

The InChIKey is LSOTYEQVZTUQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClN4O3S/c1-13-4-3-5-18(24)21(13)15-10-19(22-25-11-20(23)28(22)12-15)27-32(30,31)17-8-6-16(7-9-17)26-14(2)29/h3,5-13,27H,4H2,1-2H3,(H,26,29).

What are the key properties of N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide?

N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 535.85 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[3-bromo-6-(2-chloro-6-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-8-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 142877200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).