4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide

C17H19NO2S — CID 86015739

IUPAC4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H19NO2S/c1-12-5-7-16(8-6-12)21(19,20)18-11-17-14(3)9-13(2)10-15(17)4/h5-11H,1-4H3
InChIKeyVHOWEUOANNIGOA-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.73
Rot. Bonds3

About 4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide

4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide (PubChem CID 86015739) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
PubChem CID86015739
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C17H19NO2S/c1-12-5-7-16(8-6-12)21(19,20)18-11-17-14(3)9-13(2)10-15(17)4/h5-11H,1-4H3
InChIKeyVHOWEUOANNIGOA-UHFFFAOYSA-N
XLogP3.73
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide
CID 110518897
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 11163963
4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide
CID 693815
(NZ)-4-methyl-N-[[3-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 110518853
4-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 720211
(NZ)-N-(1,3-benzodioxol-5-ylmethylidene)-4-methylbenzenesulfonamide
CID 134998059
N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide
CID 71417577
N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide
CID 170338972
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
(NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide
CID 110518890

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide (CID 86015739) is 4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=Cc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide?
The InChIKey is VHOWEUOANNIGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-5-7-16(8-6-12)21(19,20)18-11-17-14(3)9-13(2)10-15(17)4/h5-11H,1-4H3.
What are the key properties of 4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide?
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 86015739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).