2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide

C18H12F2N4O2S — CID 122285192

IUPAC2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1c(F)cccc1F
InChIInChI=1S/C18H12F2N4O2S/c19-14-6-2-7-15(20)17(14)27(25,26)23-13-5-1-4-12(10-13)16-11-24-9-3-8-21-18(24)22-16/h1-11,23H
InChIKeyYADOSTLQRIWILT-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.48
Rot. Bonds4

About 2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide

2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide (PubChem CID 122285192) has the molecular formula C18H12F2N4O2S and a molecular weight of 386.38 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
PubChem CID122285192
Molecular FormulaC18H12F2N4O2S
Molecular Weight386.38 g/mol
Exact Mass386.06
IUPAC Name2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1c(F)cccc1F
InChIInChI=1S/C18H12F2N4O2S/c19-14-6-2-7-15(20)17(14)27(25,26)23-13-5-1-4-12(10-13)16-11-24-9-3-8-21-18(24)22-16/h1-11,23H
InChIKeyYADOSTLQRIWILT-UHFFFAOYSA-N
XLogP3.48
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285186
1-(2-fluorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285217
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122285205
2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285241
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024186
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide
CID 122285184
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 2981233
1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285057
2-(2-fluorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 122285100
3-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080166
1-(2,5-difluorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285712
2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
CID 14913301

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide (CID 122285192) is 2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
The InChIKey is YADOSTLQRIWILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S/c19-14-6-2-7-15(20)17(14)27(25,26)23-13-5-1-4-12(10-13)16-11-24-9-3-8-21-18(24)22-16/h1-11,23H.
What are the key properties of 2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide?
2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide has a molecular weight of 386.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 122285192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).