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

C18H18N2O3S — CID 53054325

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-12-9-10-15(18-13(2)19-23-14(18)3)11-17(12)24(21,22)20-16-7-5-4-6-8-16/h4-11,20H,1-3H3
InChIKeyMVONBAJIJXJZNV-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.07
Rot. Bonds4

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide (PubChem CID 53054325) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide
PubChem CID53054325
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-12-9-10-15(18-13(2)19-23-14(18)3)11-17(12)24(21,22)20-16-7-5-4-6-8-16/h4-11,20H,1-3H3
InChIKeyMVONBAJIJXJZNV-UHFFFAOYSA-N
XLogP4.07
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide (CID 53054325) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide is Cc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide?
The InChIKey is MVONBAJIJXJZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-9-10-15(18-13(2)19-23-14(18)3)11-17(12)24(21,22)20-16-7-5-4-6-8-16/h4-11,20H,1-3H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 53054325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).