N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide

C19H15IN4O2S — CID 121055508

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C19H15IN4O2S/c1-13-3-4-14(18-12-24-10-2-9-21-19(24)22-18)11-17(13)23-27(25,26)16-7-5-15(20)6-8-16/h2-12,23H,1H3
InChIKeyDWZOWWDZNFFVSX-UHFFFAOYSA-N
MW490.33 g/mol
LogP4.11
Rot. Bonds4

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide (PubChem CID 121055508) has the molecular formula C19H15IN4O2S and a molecular weight of 490.33 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
PubChem CID121055508
Molecular FormulaC19H15IN4O2S
Molecular Weight490.33 g/mol
Exact Mass490.00
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C19H15IN4O2S/c1-13-3-4-14(18-12-24-10-2-9-21-19(24)22-18)11-17(13)23-27(25,26)16-7-5-15(20)6-8-16/h2-12,23H,1H3
InChIKeyDWZOWWDZNFFVSX-UHFFFAOYSA-N
XLogP4.11
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzenesulfonamide
CID 22581302
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 6494240
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122285414
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122285575
(E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide
CID 122285377
1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide
CID 122285383
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
CID 122285702
3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122285550
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 121024205

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide (CID 121055508) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide is Cc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide?
The InChIKey is DWZOWWDZNFFVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN4O2S/c1-13-3-4-14(18-12-24-10-2-9-21-19(24)22-18)11-17(13)23-27(25,26)16-7-5-15(20)6-8-16/h2-12,23H,1H3.
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide has a molecular weight of 490.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide is sourced from PubChem (CID 121055508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).