N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide

C20H17N3O4S — CID 10548722

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnco3)cc2)c1C
InChIInChI=1S/C20H17N3O4S/c1-13-14(2)22-27-20(13)23-28(24,25)19-6-4-3-5-17(19)15-7-9-16(10-8-15)18-11-21-12-26-18/h3-12,23H,1-2H3
InChIKeyHZFREDAEPHMBSJ-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.41
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 10548722) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
PubChem CID10548722
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnco3)cc2)c1C
InChIInChI=1S/C20H17N3O4S/c1-13-14(2)22-27-20(13)23-28(24,25)19-6-4-3-5-17(19)15-7-9-16(10-8-15)18-11-21-12-26-18/h3-12,23H,1-2H3
InChIKeyHZFREDAEPHMBSJ-UHFFFAOYSA-N
XLogP4.41
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide (CID 10548722) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnco3)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is HZFREDAEPHMBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-20(13)23-28(24,25)19-6-4-3-5-17(19)15-7-9-16(10-8-15)18-11-21-12-26-18/h3-12,23H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 395.44 g/mol, XLogP of 4.41, 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-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10548722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).