(E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide

C21H18N4O2S — CID 122285377

IUPAC(E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H18N4O2S/c1-16-8-9-18(20-15-25-12-5-11-22-21(25)23-20)14-19(16)24-28(26,27)13-10-17-6-3-2-4-7-17/h2-15,24H,1H3/b13-10+
InChIKeyXWUKXDCDGVYVQV-JLHYYAGUSA-N
MW390.47 g/mol
LogP4.12
Rot. Bonds5

About (E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide

(E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide (PubChem CID 122285377) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is (E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide
PubChem CID122285377
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name(E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H18N4O2S/c1-16-8-9-18(20-15-25-12-5-11-22-21(25)23-20)14-19(16)24-28(26,27)13-10-17-6-3-2-4-7-17/h2-15,24H,1H3/b13-10+
InChIKeyXWUKXDCDGVYVQV-JLHYYAGUSA-N
XLogP4.12
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 122285710
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)benzenesulfonamide
CID 22581302
1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide
CID 122285383
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
CID 7080283
1-(2-fluorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033147
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)cyclopentanecarboxamide
CID 7080197
(E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide
CID 121033240
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122285414
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline
CID 121335716

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide (CID 122285377) is (E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide is Cc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide?
The InChIKey is XWUKXDCDGVYVQV-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-16-8-9-18(20-15-25-12-5-11-22-21(25)23-20)14-19(16)24-28(26,27)13-10-17-6-3-2-4-7-17/h2-15,24H,1H3/b13-10+.
What are the key properties of (E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide?
(E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 122285377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).