5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide

C21H19BrN4O3S — CID 121024258

IUPAC5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2nc3ncccn3c2C)c1
InChIInChI=1S/C21H19BrN4O3S/c1-3-29-18-9-8-16(22)13-19(18)30(27,28)25-17-7-4-6-15(12-17)20-14(2)26-11-5-10-23-21(26)24-20/h4-13,25H,3H2,1-2H3
InChIKeyKZIGCKHNOPMFTC-UHFFFAOYSA-N
MW487.38 g/mol
LogP4.67
Rot. Bonds6

About 5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide

5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide (PubChem CID 121024258) has the molecular formula C21H19BrN4O3S and a molecular weight of 487.38 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
PubChem CID121024258
Molecular FormulaC21H19BrN4O3S
Molecular Weight487.38 g/mol
Exact Mass486.04
IUPAC Name5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2nc3ncccn3c2C)c1
InChIInChI=1S/C21H19BrN4O3S/c1-3-29-18-9-8-16(22)13-19(18)30(27,28)25-17-7-4-6-15(12-17)20-14(2)26-11-5-10-23-21(26)24-20/h4-13,25H,3H2,1-2H3
InChIKeyKZIGCKHNOPMFTC-UHFFFAOYSA-N
XLogP4.67
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2,5-dimethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024231
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide
CID 122285761
2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024250
N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 122285926
3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 122285892
1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide
CID 122285924
2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
CID 121024155
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
CID 116798881
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
CID 122285872
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide (CID 121024258) is 5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(-c2nc3ncccn3c2C)c1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is KZIGCKHNOPMFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O3S/c1-3-29-18-9-8-16(22)13-19(18)30(27,28)25-17-7-4-6-15(12-17)20-14(2)26-11-5-10-23-21(26)24-20/h4-13,25H,3H2,1-2H3.
What are the key properties of 5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide?
5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 487.38 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 121024258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).