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

C20H18N4O3S — CID 22103787

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-n3cccn3)cc2)c1C
InChIInChI=1S/C20H18N4O3S/c1-14-15(2)22-27-20(14)23-28(25,26)19-7-4-3-6-18(19)16-8-10-17(11-9-16)24-13-5-12-21-24/h3-13,23H,1-2H3
InChIKeyFSKHGCPUJBTSRI-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.94
Rot. Bonds5

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide (PubChem CID 22103787) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide
PubChem CID22103787
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-n3cccn3)cc2)c1C
InChIInChI=1S/C20H18N4O3S/c1-14-15(2)22-27-20(14)23-28(25,26)19-7-4-3-6-18(19)16-8-10-17(11-9-16)24-13-5-12-21-24/h3-13,23H,1-2H3
InChIKeyFSKHGCPUJBTSRI-UHFFFAOYSA-N
XLogP3.94
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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''-Isopropylamino-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10667808
4''-Dimethylamino-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10690608
4''-Pyrazin-2-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 18660520
4''-Pyridin-2-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 18660521
4''-Pyridin-3-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 19085510
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-[methyl(propan-2-yl)amino]phenyl]benzenesulfonamide
CID 10620958
4''-(1-Oxy-pyridin-2-yl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 44213540
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 155528571
2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 57422316

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide (CID 22103787) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-n3cccn3)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is FSKHGCPUJBTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-14-15(2)22-27-20(14)23-28(25,26)19-7-4-3-6-18(19)16-8-10-17(11-9-16)24-13-5-12-21-24/h3-13,23H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-pyrazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.94, 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-pyrazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 22103787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).