2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide

C10H11NO3S — CID 82080794

IUPAC2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N=C=O)c(C)c1
InChIInChI=1S/C10H11NO3S/c1-7-4-8(2)10(9(3)5-7)15(13,14)11-6-12/h4-5H,1-3H3
InChIKeyIGSXRMIWMSDQCQ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.64
Rot. Bonds2

About 2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide

2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide (PubChem CID 82080794) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide
PubChem CID82080794
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N=C=O)c(C)c1
InChIInChI=1S/C10H11NO3S/c1-7-4-8(2)10(9(3)5-7)15(13,14)11-6-12/h4-5H,1-3H3
InChIKeyIGSXRMIWMSDQCQ-UHFFFAOYSA-N
XLogP1.64
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide (CID 82080794) is 2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N=C=O)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide?
The InChIKey is IGSXRMIWMSDQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-7-4-8(2)10(9(3)5-7)15(13,14)11-6-12/h4-5H,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide?
2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide has a molecular weight of 225.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(oxomethylidene)benzenesulfonamide is sourced from PubChem (CID 82080794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).