4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide

C20H15FN8O2S — CID 122285414

IUPAC4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1
InChIInChI=1S/C20H15FN8O2S/c1-12-3-4-13(18-11-29-8-2-7-22-20(29)23-18)9-17(12)26-32(30,31)14-5-6-16(21)15(10-14)19-24-27-28-25-19/h2-11,26H,1H3,(H,24,25,27,28)
InChIKeyOARCHIZRPWHFEJ-UHFFFAOYSA-N
MW450.46 g/mol
LogP2.82
Rot. Bonds5

About 4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide

4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 122285414) has the molecular formula C20H15FN8O2S and a molecular weight of 450.46 g/mol. Its IUPAC name is 4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID122285414
Molecular FormulaC20H15FN8O2S
Molecular Weight450.46 g/mol
Exact Mass450.10
IUPAC Name4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1
InChIInChI=1S/C20H15FN8O2S/c1-12-3-4-13(18-11-29-8-2-7-22-20(29)23-18)9-17(12)26-32(30,31)14-5-6-16(21)15(10-14)19-24-27-28-25-19/h2-11,26H,1H3,(H,24,25,27,28)
InChIKeyOARCHIZRPWHFEJ-UHFFFAOYSA-N
XLogP2.82
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508
4-fluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122284592
1-(4-fluorophenyl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)methanesulfonamide
CID 122285383
4-fluoro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122284170
3-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 121024205
3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122285550
4-fluoro-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122317339
3-chloro-4-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285186
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 6494240
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
(E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide
CID 122285377

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide (CID 122285414) is 4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is OARCHIZRPWHFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN8O2S/c1-12-3-4-13(18-11-29-8-2-7-22-20(29)23-18)9-17(12)26-32(30,31)14-5-6-16(21)15(10-14)19-24-27-28-25-19/h2-11,26H,1H3,(H,24,25,27,28).
What are the key properties of 4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide?
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 450.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 122285414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).