N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide

C20H17N3O4S — CID 67593997

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cc(-c3ncco3)ccc2-c2ccccc2)c1C
InChIInChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-12-16(20-21-10-11-26-20)8-9-17(18)15-6-4-3-5-7-15/h3-12,23H,1-2H3
InChIKeyDFLKRKDLXZBJLP-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.41
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide (PubChem CID 67593997) 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)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide
PubChem CID67593997
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2cc(-c3ncco3)ccc2-c2ccccc2)c1C
InChIInChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-12-16(20-21-10-11-26-20)8-9-17(18)15-6-4-3-5-7-15/h3-12,23H,1-2H3
InChIKeyDFLKRKDLXZBJLP-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)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide (CID 67593997) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide is Cc1noc(NS(=O)(=O)c2cc(-c3ncco3)ccc2-c2ccccc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide?
The InChIKey is DFLKRKDLXZBJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-12-16(20-21-10-11-26-20)8-9-17(18)15-6-4-3-5-7-15/h3-12,23H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide 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)-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide is sourced from PubChem (CID 67593997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).