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

C19H15FN4O3S — CID 121024205

IUPAC3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H15FN4O3S/c1-27-18-7-6-13(17-12-24-9-3-8-21-19(24)22-17)10-16(18)23-28(25,26)15-5-2-4-14(20)11-15/h2-12,23H,1H3
InChIKeyUZIVIIBAAQVPON-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.34
Rot. Bonds5

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

3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide (PubChem CID 121024205) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
PubChem CID121024205
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC Name3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H15FN4O3S/c1-27-18-7-6-13(17-12-24-9-3-8-21-19(24)22-17)10-16(18)23-28(25,26)15-5-2-4-14(20)11-15/h2-12,23H,1H3
InChIKeyUZIVIIBAAQVPON-UHFFFAOYSA-N
XLogP3.34
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-methoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024207
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)-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
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
2-(3-bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 696188
3-chloro-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 122323277

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide (CID 121024205) is 3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide is COc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide?
The InChIKey is UZIVIIBAAQVPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c1-27-18-7-6-13(17-12-24-9-3-8-21-19(24)22-17)10-16(18)23-28(25,26)15-5-2-4-14(20)11-15/h2-12,23H,1H3.
What are the key properties of 3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide?
3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide has a molecular weight of 398.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 121024205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).