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

C13H16N2O4S — CID 110714688

IUPAC2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1coc(C)n1
InChIInChI=1S/C13H16N2O4S/c1-9-4-5-12(18-3)13(6-9)20(16,17)14-7-11-8-19-10(2)15-11/h4-6,8,14H,7H2,1-3H3
InChIKeyKHALATWJDDDUTQ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.78
Rot. Bonds5

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

2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 110714688) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID110714688
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1coc(C)n1
InChIInChI=1S/C13H16N2O4S/c1-9-4-5-12(18-3)13(6-9)20(16,17)14-7-11-8-19-10(2)15-11/h4-6,8,14H,7H2,1-3H3
InChIKeyKHALATWJDDDUTQ-UHFFFAOYSA-N
XLogP1.78
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
2-methoxy-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021799
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylbenzenesulfonamide
CID 110322963
2,4-dimethyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110718643
2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 8777833
[4-[[(2-methoxy-5-methylphenyl)sulfonylamino]methyl]phenyl]boronic acid
CID 144923697
2-methoxy-5-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
CID 110401787
4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714673
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
N-[4-(dimethylamino)but-2-ynyl]-2-methoxy-5-methylbenzenesulfonamide
CID 71792437

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 110714688) is 2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCc1coc(C)n1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is KHALATWJDDDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-9-4-5-12(18-3)13(6-9)20(16,17)14-7-11-8-19-10(2)15-11/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110714688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).