2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide

C17H20N2O2S — CID 86180003

IUPAC2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c1-12-10-13(2)17(14(3)11-12)22(20,21)19-18-15(4)16-8-6-5-7-9-16/h5-11,19H,1-4H3
InChIKeyUACIYKMNGZBNDQ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.31
Rot. Bonds4

About 2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide

2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide (PubChem CID 86180003) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide
PubChem CID86180003
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide
SMILESCC(=NNS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C17H20N2O2S/c1-12-10-13(2)17(14(3)11-12)22(20,21)19-18-15(4)16-8-6-5-7-9-16/h5-11,19H,1-4H3
InChIKeyUACIYKMNGZBNDQ-UHFFFAOYSA-N
XLogP3.31
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
CID 3418531
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 7965468
[(Z)-1-(4-methylphenyl)ethylideneamino]sulfamic acid
CID 45098057
2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681294
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-[1-(4-methoxyphenyl)ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 3263772
1-(2,4-dimethylphenyl)-3-(1-phenylethylideneamino)thiourea
CID 3666983
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide (CID 86180003) is 2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide is CC(=NNS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of 2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide?
The InChIKey is UACIYKMNGZBNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-10-13(2)17(14(3)11-12)22(20,21)19-18-15(4)16-8-6-5-7-9-16/h5-11,19H,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide?
2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(1-phenylethylideneamino)benzenesulfonamide is sourced from PubChem (CID 86180003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).