N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide

C17H20N2O2S — CID 154719199

IUPACN-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
SMILESC/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1cc(C)cc(C)c1
InChIInChI=1S/C17H20N2O2S/c1-12-5-7-17(8-6-12)22(20,21)19-15(4)18-16-10-13(2)9-14(3)11-16/h5-11H,1-4H3,(H,18,19)
InChIKeyTYRAYAUJWDCMGI-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.83
Rot. Bonds3

About N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide

N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide (PubChem CID 154719199) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
PubChem CID154719199
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
SMILESC/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1cc(C)cc(C)c1
InChIInChI=1S/C17H20N2O2S/c1-12-5-7-17(8-6-12)22(20,21)19-15(4)18-16-10-13(2)9-14(3)11-16/h5-11H,1-4H3,(H,18,19)
InChIKeyTYRAYAUJWDCMGI-UHFFFAOYSA-N
XLogP3.83
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methylphenyl)sulfonyl-N-(4-nitrophenyl)ethanimidamide
CID 154719424
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-N'-(4-methylphenyl)sulfonylethanimidamide
CID 4531375
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049
N-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 34071712
2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 4030330
1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine
CID 4610108
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2340419
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 51345362

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide (CID 154719199) is N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide is C/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
The InChIKey is TYRAYAUJWDCMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-5-7-17(8-6-12)22(20,21)19-15(4)18-16-10-13(2)9-14(3)11-16/h5-11H,1-4H3,(H,18,19).
What are the key properties of N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide has a molecular weight of 316.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide is sourced from PubChem (CID 154719199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).