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

C13H16N2O4S — CID 138018158

IUPAC2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCOCc1ccccc1S(=O)(=O)NCc1ocnc1C
InChIInChI=1S/C13H16N2O4S/c1-10-12(19-9-14-10)7-15-20(16,17)13-6-4-3-5-11(13)8-18-2/h3-6,9,15H,7-8H2,1-2H3
InChIKeyCAUYVSZVEDAMRE-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.61
Rot. Bonds6

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

2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 138018158) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID138018158
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCOCc1ccccc1S(=O)(=O)NCc1ocnc1C
InChIInChI=1S/C13H16N2O4S/c1-10-12(19-9-14-10)7-15-20(16,17)13-6-4-3-5-11(13)8-18-2/h3-6,9,15H,7-8H2,1-2H3
InChIKeyCAUYVSZVEDAMRE-UHFFFAOYSA-N
XLogP1.61
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 138018139
5-[[[2-(methoxymethyl)phenyl]sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 154741050
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 110671276
2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide
CID 39636523
benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate
CID 23532304
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpyridin-3-amine
CID 79041996
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114598692
2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62846126
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
2-chloro-N-[[4-(methoxymethyl)phenyl]methyl]benzenesulfonamide
CID 34263580
2-bromo-N-[2-(methoxymethyl)phenyl]benzenesulfonamide
CID 47310105
N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 103110630

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (CID 138018158) is 2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is COCc1ccccc1S(=O)(=O)NCc1ocnc1C.
What is the InChIKey of 2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is CAUYVSZVEDAMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-10-12(19-9-14-10)7-15-20(16,17)13-6-4-3-5-11(13)8-18-2/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 138018158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).