1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide

C20H17FN4O2S — CID 122285924

IUPAC1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide
SMILESCc1c(-c2cccc(NS(=O)(=O)Cc3ccccc3F)c2)nc2ncccn12
InChIInChI=1S/C20H17FN4O2S/c1-14-19(23-20-22-10-5-11-25(14)20)15-7-4-8-17(12-15)24-28(26,27)13-16-6-2-3-9-18(16)21/h2-12,24H,13H2,1H3
InChIKeyHEYPTFHQRZGZBF-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.79
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide

1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide (PubChem CID 122285924) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide
PubChem CID122285924
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC Name1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide
SMILESCc1c(-c2cccc(NS(=O)(=O)Cc3ccccc3F)c2)nc2ncccn12
InChIInChI=1S/C20H17FN4O2S/c1-14-19(23-20-22-10-5-11-25(14)20)15-7-4-8-17(12-15)24-28(26,27)13-16-6-2-3-9-18(16)21/h2-12,24H,13H2,1H3
InChIKeyHEYPTFHQRZGZBF-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide (CID 122285924) is 1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide is Cc1c(-c2cccc(NS(=O)(=O)Cc3ccccc3F)c2)nc2ncccn12.
What is the InChIKey of 1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide?
The InChIKey is HEYPTFHQRZGZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-14-19(23-20-22-10-5-11-25(14)20)15-7-4-8-17(12-15)24-28(26,27)13-16-6-2-3-9-18(16)21/h2-12,24H,13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]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-(2-fluorophenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 122285924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).