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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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).