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

C21H19N3O4S — CID 10740258

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)o1
InChIInChI=1S/C21H19N3O4S/c1-13-12-22-21(27-13)17-10-8-16(9-11-17)18-6-4-5-7-19(18)29(25,26)24-20-14(2)15(3)23-28-20/h4-12,24H,1-3H3
InChIKeyJEXRIQLOSWSORT-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.72
Rot. Bonds5

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 10740258) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID10740258
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)o1
InChIInChI=1S/C21H19N3O4S/c1-13-12-22-21(27-13)17-10-8-16(9-11-17)18-6-4-5-7-19(18)29(25,26)24-20-14(2)15(3)23-28-20/h4-12,24H,1-3H3
InChIKeyJEXRIQLOSWSORT-UHFFFAOYSA-N
XLogP4.72
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.72
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-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide (CID 10740258) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide is Cc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)o1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is JEXRIQLOSWSORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-13-12-22-21(27-13)17-10-8-16(9-11-17)18-6-4-5-7-19(18)29(25,26)24-20-14(2)15(3)23-28-20/h4-12,24H,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 4.72, 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-(5-methyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10740258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).