N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide

C16H18N4O2S — CID 725634

IUPACN,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C16H18N4O2S/c1-3-20(4-2)23(21,22)14-8-6-13(7-9-14)15-12-19-11-5-10-17-16(19)18-15/h5-12H,3-4H2,1-2H3
InChIKeyCMHQBUHKTAMWDR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.43
Rot. Bonds5

About N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide

N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide (PubChem CID 725634) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide
PubChem CID725634
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C16H18N4O2S/c1-3-20(4-2)23(21,22)14-8-6-13(7-9-14)15-12-19-11-5-10-17-16(19)18-15/h5-12H,3-4H2,1-2H3
InChIKeyCMHQBUHKTAMWDR-UHFFFAOYSA-N
XLogP2.43
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 90168120
2-pyridin-3-ylimidazo[1,2-a]pyrimidine
CID 10035574
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-propylpentanamide
CID 20868684
2-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
CID 115403490
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 122285710
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122285724
2-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 67237383
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyrimidine
CID 90224392
1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide
CID 122285383
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122285414
1-(3-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285748

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide (CID 725634) is N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is CMHQBUHKTAMWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-3-20(4-2)23(21,22)14-8-6-13(7-9-14)15-12-19-11-5-10-17-16(19)18-15/h5-12H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide?
N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-imidazo[1,2-a]pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 725634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).