N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide

C21H18N4O3S — CID 18660520

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnccn3)cc2)c1C
InChIInChI=1S/C21H18N4O3S/c1-14-15(2)24-28-21(14)25-29(26,27)20-6-4-3-5-18(20)16-7-9-17(10-8-16)19-13-22-11-12-23-19/h3-13,25H,1-2H3
InChIKeyUVYXPSDNXLRANG-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.22
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide (PubChem CID 18660520) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide
PubChem CID18660520
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnccn3)cc2)c1C
InChIInChI=1S/C21H18N4O3S/c1-14-15(2)24-28-21(14)25-29(26,27)20-6-4-3-5-18(20)16-7-9-17(10-8-16)19-13-22-11-12-23-19/h3-13,25H,1-2H3
InChIKeyUVYXPSDNXLRANG-UHFFFAOYSA-N
XLogP4.22
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4''-Pyrimidin-2-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 9822616
N-(3,4-Dimethyl-isoxazol-5-yl)-2-pyridin-3-yl-benzenesulfonamide
CID 9797546
N-(3,4-Dimethyl-isoxazol-5-yl)-2-(1H-indol-3-yl)-benzenesulfonamide
CID 9799352
N-(3,4-Dimethyl-isoxazol-5-yl)-2-pyridin-2-yl-benzenesulfonamide
CID 9949368
4''-Pyridin-2-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 18660521
4''-Pyrimidin-4-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 18660522
4''-Pyrimidin-5-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 18660523
4''-Pyridin-3-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 19085510
4''-(1H-Imidazol-2-yl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 22103589
4''-Pyrazol-1-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 22103787
4''-(1-Methyl-1H-imidazol-2-yl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 22103797
4''-(1-Oxy-pyridin-2-yl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 44213540

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide (CID 18660520) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnccn3)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide?
The InChIKey is UVYXPSDNXLRANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-14-15(2)24-28-21(14)25-29(26,27)20-6-4-3-5-18(20)16-7-9-17(10-8-16)19-13-22-11-12-23-19/h3-13,25H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide has a molecular weight of 406.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazin-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 18660520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).