4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide

C10H11NO4S — CID 114770673

IUPAC4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N=C=O)c(C)c1
InChIInChI=1S/C10H11NO4S/c1-7-4-9(15-3)5-8(2)10(7)16(13,14)11-6-12/h4-5H,1-3H3
InChIKeyYCIACFGSJSWROD-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.34
Rot. Bonds3

About 4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide

4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide (PubChem CID 114770673) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide
PubChem CID114770673
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N=C=O)c(C)c1
InChIInChI=1S/C10H11NO4S/c1-7-4-9(15-3)5-8(2)10(7)16(13,14)11-6-12/h4-5H,1-3H3
InChIKeyYCIACFGSJSWROD-UHFFFAOYSA-N
XLogP1.34
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide
CID 82080794
chloro-(4-methoxy-2,6-dimethylphenyl)-methylidene-oxo-λ6-sulfane
CID 59505386
2-chloro-4-methoxy-N-(oxomethylidene)benzenesulfonamide
CID 165349722
N,N-diethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 60754894
1-(4-methoxy-2,6-dimethylphenyl)sulfonylazepane
CID 47173260
2,5-dimethyl-N-(oxomethylidene)benzenesulfonamide
CID 15232647
2,4,6-trifluoro-N-(oxomethylidene)benzenesulfonamide
CID 114770559
(NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
CID 23240619
2-fluoro-1-(isocyanatomethyl)-5-methoxy-3-methylbenzene
CID 117284989
(NE)-N-[1-(4-methoxyphenyl)ethylidene]-2,4,6-trimethylbenzenesulfonamide
CID 135072677
4-methoxy-2,6-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47173285
1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 55130191

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide (CID 114770673) is 4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N=C=O)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide?
The InChIKey is YCIACFGSJSWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c1-7-4-9(15-3)5-8(2)10(7)16(13,14)11-6-12/h4-5H,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide has a molecular weight of 241.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-(oxomethylidene)benzenesulfonamide is sourced from PubChem (CID 114770673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).