N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide

C13H12N4O2S — CID 1482877

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C13H12N4O2S/c1-20(18,19)16-11-5-3-10(4-6-11)12-9-17-8-2-7-14-13(17)15-12/h2-9,16H,1H3
InChIKeyIBXQCKICWBABKX-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.77
Rot. Bonds3

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide (PubChem CID 1482877) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
PubChem CID1482877
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C13H12N4O2S/c1-20(18,19)16-11-5-3-10(4-6-11)12-9-17-8-2-7-14-13(17)15-12/h2-9,16H,1H3
InChIKeyIBXQCKICWBABKX-UHFFFAOYSA-N
XLogP1.77
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zolimidine
CID 14652
N-(4-(4-amino-2-ethyl-1H-imidazo(4,5c)quinolin-1-yl)butyl)methanesulfonamide
CID 10309114
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
3-Phenylimidazo(1,5-a)pyridine
CID 606670
2-Phenylimidazo(1,2-a)pyridin-3-amine
CID 199307
2-Phenylimidazo(1,2-a)pyridine
CID 201136
2-Phenylimidazo[1,2-a]pyrimidine
CID 204149
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
Imidazopyridine 12d
CID 5329350
N-[2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethyl]methanesulfonamide
CID 44431997
N-(4-((2-cyano-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methyl)phenyl)methanesulfonamide
CID 44444222

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide (CID 1482877) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide?
The InChIKey is IBXQCKICWBABKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-20(18,19)16-11-5-3-10(4-6-11)12-9-17-8-2-7-14-13(17)15-12/h2-9,16H,1H3.
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 1482877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).