N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide

C9H11N3O5S — CID 59020339

IUPACN'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C9H11N3O5S/c1-11(2)6-10-18(16,17)9-4-3-7(12(14)15)5-8(9)13/h3-6,13H,1-2H3/b10-6+
InChIKeyJXAVXBLTZXLWSV-UXBLZVDNSA-N
MW273.27 g/mol
LogP0.58
Rot. Bonds4

About N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide

N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 59020339) has the molecular formula C9H11N3O5S and a molecular weight of 273.27 g/mol. Its IUPAC name is N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID59020339
Molecular FormulaC9H11N3O5S
Molecular Weight273.27 g/mol
Exact Mass273.04
IUPAC NameN'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C9H11N3O5S/c1-11(2)6-10-18(16,17)9-4-3-7(12(14)15)5-8(9)13/h3-6,13H,1-2H3/b10-6+
InChIKeyJXAVXBLTZXLWSV-UXBLZVDNSA-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-6-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 66915973
[7-[2-(dimethylaminomethylideneamino)sulfonyl-5-nitrophenoxy]-4-(hydroxymethyl)-2-methylheptan-3-yl]carbamic acid
CID 90982926
N,N,2-trimethyl-4-nitrobenzenesulfonamide
CID 37477641
2-bromo-5-nitrophenol;ethane
CID 177010307
2-methyl-4-nitrobenzenesulfonic acid;hydrochloride
CID 88842241
1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea
CID 19818309
N'-[2-[(4S)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]-5-hydroxypentoxy]-4-nitrophenyl]sulfonyl-N,N-dimethylmethanimidamide
CID 91260690
azanium 2-methyl-4-nitrobenzenesulfonate
CID 163648407
(2,4-dinitrophenyl)sulfonylazanide;yttrium
CID 58710597
sodium 2-methyl-4-nitrobenzenesulfonate
CID 517339
2-[[2-(dimethylamino)ethyl-[(2-hydroxy-5-nitrophenyl)methyl]amino]methyl]-4-nitrophenol
CID 71372012
2-(methylamino)-4-nitrobenzenesulfonamide
CID 62144576

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide (CID 59020339) is N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide is CN(C)/C=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is JXAVXBLTZXLWSV-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11N3O5S/c1-11(2)6-10-18(16,17)9-4-3-7(12(14)15)5-8(9)13/h3-6,13H,1-2H3/b10-6+.
What are the key properties of N'-(2-hydroxy-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(2-hydroxy-4-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-4-nitrophenyl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 59020339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).