3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide

C19H14F2N4O3S — CID 122285550

IUPAC3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H14F2N4O3S/c1-28-18-4-3-12(17-11-25-6-2-5-22-19(25)23-17)7-16(18)24-29(26,27)15-9-13(20)8-14(21)10-15/h2-11,24H,1H3
InChIKeyWDJDYMSOKSJVRX-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.48
Rot. Bonds5

About 3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide

3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide (PubChem CID 122285550) has the molecular formula C19H14F2N4O3S and a molecular weight of 416.41 g/mol. Its IUPAC name is 3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
PubChem CID122285550
Molecular FormulaC19H14F2N4O3S
Molecular Weight416.41 g/mol
Exact Mass416.08
IUPAC Name3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C19H14F2N4O3S/c1-28-18-4-3-12(17-11-25-6-2-5-22-19(25)23-17)7-16(18)24-29(26,27)15-9-13(20)8-14(21)10-15/h2-11,24H,1H3
InChIKeyWDJDYMSOKSJVRX-UHFFFAOYSA-N
XLogP3.48
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 121024205
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 6494240
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024207
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122285575
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzenesulfonamide
CID 22581302
2-(4-fluorophenoxy)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)acetamide
CID 122285463
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508
3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
CID 122285536
2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 696188
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464
4-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122323097
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide (CID 122285550) is 3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide is COc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide?
The InChIKey is WDJDYMSOKSJVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3S/c1-28-18-4-3-12(17-11-25-6-2-5-22-19(25)23-17)7-16(18)24-29(26,27)15-9-13(20)8-14(21)10-15/h2-11,24H,1H3.
What are the key properties of 3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide?
3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide has a molecular weight of 416.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 122285550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).