3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide

C15H20N2O3S — CID 110776931

IUPAC3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1cc(C)c(C)c(NS(=O)(=O)c2c(C)noc2C)c1C
InChIInChI=1S/C15H20N2O3S/c1-8-7-9(2)11(4)14(10(8)3)17-21(18,19)15-12(5)16-20-13(15)6/h7,17H,1-6H3
InChIKeyBOEKZDNWYZIGJG-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.33
Rot. Bonds3

About 3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide (PubChem CID 110776931) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
PubChem CID110776931
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1cc(C)c(C)c(NS(=O)(=O)c2c(C)noc2C)c1C
InChIInChI=1S/C15H20N2O3S/c1-8-7-9(2)11(4)14(10(8)3)17-21(18,19)15-12(5)16-20-13(15)6/h7,17H,1-6H3
InChIKeyBOEKZDNWYZIGJG-UHFFFAOYSA-N
XLogP3.33
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 110727384
N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158
N-(3-iodo-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113368492
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-(5-amino-2,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43550970
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 17490159
N-(2-hydroxy-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 114764739
N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106913000
N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8002095

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide (CID 110776931) is 3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide is Cc1cc(C)c(C)c(NS(=O)(=O)c2c(C)noc2C)c1C.
What is the InChIKey of 3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is BOEKZDNWYZIGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-8-7-9(2)11(4)14(10(8)3)17-21(18,19)15-12(5)16-20-13(15)6/h7,17H,1-6H3.
What are the key properties of 3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110776931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).