5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

C11H12N4O4S — CID 10266556

IUPAC5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC(CN=[N+]=[N-])OC2=O)cc1
InChIInChI=1S/C11H12N4O4S/c1-8-2-4-10(5-3-8)20(17,18)15-7-9(6-13-14-12)19-11(15)16/h2-5,9H,6-7H2,1H3
InChIKeyIZWCUOQUCXRWRS-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.81
Rot. Bonds4

About 5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one

5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 10266556) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID10266556
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC(CN=[N+]=[N-])OC2=O)cc1
InChIInChI=1S/C11H12N4O4S/c1-8-2-4-10(5-3-8)20(17,18)15-7-9(6-13-14-12)19-11(15)16/h2-5,9H,6-7H2,1H3
InChIKeyIZWCUOQUCXRWRS-UHFFFAOYSA-N
XLogP1.81
TPSA112.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[[(5S)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium chloride
CID 110191794
5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
2-(azidomethyl)-6-benzyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-oxazine
CID 132966836
(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11458625
5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 14011262
(2S)-2-(azidomethyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 23986304
3-azido-6-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 175207184
3-chloro-4-(chloromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 23628773
(3R,4R)-4-(bromomethyl)-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 101003111
(3S,4S)-3-chloro-4-(chloromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 101020823
5-(azidomethyl)-3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 15813590
azidoethane;4-methylbenzenesulfonic acid
CID 175041595

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 10266556) is 5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is Cc1ccc(S(=O)(=O)N2CC(CN=[N+]=[N-])OC2=O)cc1.
What is the InChIKey of 5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is IZWCUOQUCXRWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-8-2-4-10(5-3-8)20(17,18)15-7-9(6-13-14-12)19-11(15)16/h2-5,9H,6-7H2,1H3.
What are the key properties of 5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one?
5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 296.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10266556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).