N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide

C14H12ClF3N4O3S — CID 21256382

IUPACN-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(N2C(=O)C=C(C(F)(F)F)N3CCN=C32)ccc1Cl
InChIInChI=1S/C14H12ClF3N4O3S/c1-26(24,25)20-10-6-8(2-3-9(10)15)22-12(23)7-11(14(16,17)18)21-5-4-19-13(21)22/h2-3,6-7,20H,4-5H2,1H3
InChIKeyUOHMBRPWAWBUJO-UHFFFAOYSA-N
MW408.79 g/mol
LogP2.18
Rot. Bonds3

About N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide

N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide (PubChem CID 21256382) has the molecular formula C14H12ClF3N4O3S and a molecular weight of 408.79 g/mol. Its IUPAC name is N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide
PubChem CID21256382
Molecular FormulaC14H12ClF3N4O3S
Molecular Weight408.79 g/mol
Exact Mass408.03
IUPAC NameN-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(N2C(=O)C=C(C(F)(F)F)N3CCN=C32)ccc1Cl
InChIInChI=1S/C14H12ClF3N4O3S/c1-26(24,25)20-10-6-8(2-3-9(10)15)22-12(23)7-11(14(16,17)18)21-5-4-19-13(21)22/h2-3,6-7,20H,4-5H2,1H3
InChIKeyUOHMBRPWAWBUJO-UHFFFAOYSA-N
XLogP2.18
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.79
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide (CID 21256382) is N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(N2C(=O)C=C(C(F)(F)F)N3CCN=C32)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide?
The InChIKey is UOHMBRPWAWBUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O3S/c1-26(24,25)20-10-6-8(2-3-9(10)15)22-12(23)7-11(14(16,17)18)21-5-4-19-13(21)22/h2-3,6-7,20H,4-5H2,1H3.
What are the key properties of N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide?
N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide has a molecular weight of 408.79 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 21256382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).