N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide

C9H11N3O5S — CID 66915973

IUPACN'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)C=NS(=O)(=O)c1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O5S/c1-11(2)6-10-18(16,17)9-7(12(14)15)4-3-5-8(9)13/h3-6,13H,1-2H3
InChIKeyMPMQCTGZZCILEN-UHFFFAOYSA-N
MW273.27 g/mol
LogP0.58
Rot. Bonds4

About N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide

N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 66915973) has the molecular formula C9H11N3O5S and a molecular weight of 273.27 g/mol. Its IUPAC name is N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID66915973
Molecular FormulaC9H11N3O5S
Molecular Weight273.27 g/mol
Exact Mass273.04
IUPAC NameN'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)C=NS(=O)(=O)c1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O5S/c1-11(2)6-10-18(16,17)9-7(12(14)15)4-3-5-8(9)13/h3-6,13H,1-2H3
InChIKeyMPMQCTGZZCILEN-UHFFFAOYSA-N
XLogP0.58
TPSA113.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 59020339
2-methyl-6-nitrobenzenesulfonic acid;hydrochloride
CID 88828256
N-diazo-2-methyl-6-nitrobenzenesulfonamide
CID 43452575
2-ethenyl-3-nitrophenol
CID 10583166
(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
CID 23248110
methanol;2-nitrophenol
CID 157303764
N-(1-cyanopropan-2-yl)-N,2-dimethyl-6-nitrobenzenesulfonamide
CID 63225052
2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine
CID 140784257
N,2-dimethyl-6-nitrobenzenesulfonamide
CID 43446418
2-methylsulfonyl-3-nitrobenzenesulfonamide
CID 142790539
N,N-dimethyl-N'-[4-methyl-3-(2-phenylethynyl)phenyl]sulfonylmethanimidamide
CID 143260871
2-methyl-2-[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]propanoic acid
CID 62817099

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide (CID 66915973) is N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide is CN(C)C=NS(=O)(=O)c1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is MPMQCTGZZCILEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5S/c1-11(2)6-10-18(16,17)9-7(12(14)15)4-3-5-8(9)13/h3-6,13H,1-2H3.
What are the key properties of N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 273.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 66915973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).