1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide

C20H17FN4O2S — CID 122285383

IUPAC1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H17FN4O2S/c1-14-3-6-16(19-12-25-10-2-9-22-20(25)23-19)11-18(14)24-28(26,27)13-15-4-7-17(21)8-5-15/h2-12,24H,13H2,1H3
InChIKeyPEUKBBBVNKEJID-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.79
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide

1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide (PubChem CID 122285383) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide
PubChem CID122285383
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC Name1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H17FN4O2S/c1-14-3-6-16(19-12-25-10-2-9-22-20(25)23-19)11-18(14)24-28(26,27)13-15-4-7-17(21)8-5-15/h2-12,24H,13H2,1H3
InChIKeyPEUKBBBVNKEJID-UHFFFAOYSA-N
XLogP3.79
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzenesulfonamide
CID 22581302
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122285414
(E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide
CID 122285377
1-(2,5-difluorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285712
1-(2-fluorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033147
1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)methanesulfonamide
CID 122323242
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122284552
1-(2-fluorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285217
3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122285550
2-(4-fluorophenoxy)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)acetamide
CID 122285463

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide (CID 122285383) is 1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide is Cc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide?
The InChIKey is PEUKBBBVNKEJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-14-3-6-16(19-12-25-10-2-9-22-20(25)23-19)11-18(14)24-28(26,27)13-15-4-7-17(21)8-5-15/h2-12,24H,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide has a molecular weight of 396.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 122285383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).