N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide

C17H19N3O2S — CID 12577971

IUPACN-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide
SMILESC/C(=N\N=C\N(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-14-9-11-17(12-10-14)23(21,22)20(3)13-18-19-15(2)16-7-5-4-6-8-16/h4-13H,1-3H3/b18-13+,19-15+
InChIKeyYYILCYXIUSOBQQ-HQSZAHFGSA-N
MW329.43 g/mol
LogP3.07
Rot. Bonds5

About N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide

N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide (PubChem CID 12577971) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide
PubChem CID12577971
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide
SMILESC/C(=N\N=C\N(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19N3O2S/c1-14-9-11-17(12-10-14)23(21,22)20(3)13-18-19-15(2)16-7-5-4-6-8-16/h4-13H,1-3H3/b18-13+,19-15+
InChIKeyYYILCYXIUSOBQQ-HQSZAHFGSA-N
XLogP3.07
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)sulfonyl-[(E)-1-phenylethylideneamino]azanide
CID 134855500
4-methylbenzenesulfonic acid;N-(1-phenylethylidene)hydroxylamine
CID 87376058
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
4-methyl-N,N-diphenacylbenzenesulfonamide
CID 13015122
N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 122208308
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 155490363
(E)-N-[(E)-benzylideneamino]-1-phenylethanimine
CID 177482711
1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide (CID 12577971) is N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide is C/C(=N\N=C\N(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide?
The InChIKey is YYILCYXIUSOBQQ-HQSZAHFGSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-14-9-11-17(12-10-14)23(21,22)20(3)13-18-19-15(2)16-7-5-4-6-8-16/h4-13H,1-3H3/b18-13+,19-15+.
What are the key properties of N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide?
N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide has a molecular weight of 329.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)sulfonyl-N'-[(E)-1-phenylethylideneamino]methanimidamide is sourced from PubChem (CID 12577971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).