N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide

C15H15N3O5S — CID 3364663

IUPACN'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide
SMILESCOc1ccccc1/N=C/N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O5S/c1-17(11-16-14-5-3-4-6-15(14)23-2)24(21,22)13-9-7-12(8-10-13)18(19)20/h3-11H,1-2H3/b16-11+
InChIKeyVYXHWKRVFVIFHS-LFIBNONCSA-N
MW349.37 g/mol
LogP2.58
Rot. Bonds6

About N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide

N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide (PubChem CID 3364663) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide
PubChem CID3364663
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide
SMILESCOc1ccccc1/N=C/N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O5S/c1-17(11-16-14-5-3-4-6-15(14)23-2)24(21,22)13-9-7-12(8-10-13)18(19)20/h3-11H,1-2H3/b16-11+
InChIKeyVYXHWKRVFVIFHS-LFIBNONCSA-N
XLogP2.58
TPSA102.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 135595872
N-[1-(2-methoxyphenyl)ethyl]-4-nitro-N-phenylbenzenesulfonamide
CID 42841873
1-methoxy-2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]benzene
CID 9036138
N-bromo-N-methyl-4-nitrobenzenesulfonamide
CID 134996291
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
(E)-N-(2-methoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine
CID 139070229
3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
CID 5060153
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-(3-methylphenyl)-4-nitrobenzenesulfonamide
CID 93207489
N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100526233
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313
(E)-1-(2-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 19566928
(2-chloro-4-nitrophenyl) 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 71904115

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide?
The IUPAC name of N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide (CID 3364663) is N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide.
What is the SMILES notation for N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide?
The canonical SMILES for N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide is COc1ccccc1/N=C/N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide?
The InChIKey is VYXHWKRVFVIFHS-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-17(11-16-14-5-3-4-6-15(14)23-2)24(21,22)13-9-7-12(8-10-13)18(19)20/h3-11H,1-2H3/b16-11+.
What are the key properties of N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide?
N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide has a molecular weight of 349.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N-methyl-N-(4-nitrophenyl)sulfonylmethanimidamide is sourced from PubChem (CID 3364663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).