4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide

C17H21NO3S2 — CID 11163963

IUPAC4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(C)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H21NO3S2/c1-12-6-8-16(9-7-12)23(20,21)18-22(5,19)17-14(3)10-13(2)11-15(17)4/h6-11H,1-5H3
InChIKeyQZEZSUVVYMHVPU-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.77
Rot. Bonds3

About 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide

4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide (PubChem CID 11163963) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
PubChem CID11163963
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=S(C)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H21NO3S2/c1-12-6-8-16(9-7-12)23(20,21)18-22(5,19)17-14(3)10-13(2)11-15(17)4/h6-11H,1-5H3
InChIKeyQZEZSUVVYMHVPU-UHFFFAOYSA-N
XLogP3.77
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[oxo-phenyl-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 15890169
4-methyl-N-[oxo-(2-phenylethynyl)-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 163201565
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
N-[fluoro-(4-methylphenyl)-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 163201515
2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 14948232
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
CID 10623150
CID 10623150
methanol;4-methylbenzenesulfonic acid;nickel
CID 162157785
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 40849508
N-[(4-chlorophenoxy)-methyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 134927709
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide (CID 11163963) is 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=S(C)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide?
The InChIKey is QZEZSUVVYMHVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-12-6-8-16(9-7-12)23(20,21)18-22(5,19)17-14(3)10-13(2)11-15(17)4/h6-11H,1-5H3.
What are the key properties of 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide?
4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide has a molecular weight of 351.49 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 11163963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).