N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide

C13H11N3O4S — CID 2945274

IUPACN'-(2-nitrophenyl)sulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H11N3O4S/c14-13(10-6-2-1-3-7-10)15-21(19,20)12-9-5-4-8-11(12)16(17)18/h1-9H,(H2,14,15)
InChIKeyDNSXICDTIWAMCF-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.69
Rot. Bonds4

About N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide

N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide (PubChem CID 2945274) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-nitrophenyl)sulfonylbenzenecarboximidamide
PubChem CID2945274
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC NameN'-(2-nitrophenyl)sulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H11N3O4S/c14-13(10-6-2-1-3-7-10)15-21(19,20)12-9-5-4-8-11(12)16(17)18/h1-9H,(H2,14,15)
InChIKeyDNSXICDTIWAMCF-UHFFFAOYSA-N
XLogP1.69
TPSA115.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
iron(2+);bis(2-nitrobenzenesulfonate)
CID 141179187
1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
(NE)-N-(2,2-dimethylpropylidene)-2-nitrobenzenesulfonamide
CID 135073989
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
CID 23469557
2-nitro-N-phenacylbenzenesulfonamide
CID 12517296
ethane;1-methylsulfonyl-2-nitrobenzene
CID 143845795
(2-nitrophenyl)sulfonylazanide;uranium
CID 169307604
N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide
CID 135248443
2-[2-aminoethyl-(2-nitrophenyl)sulfonylamino]acetic acid
CID 178134973
1-ethylsulfonyl-2-nitrobenzene
CID 12646354
N-[(2-nitrophenyl)methylidene]benzenesulfonamide
CID 27877970

Frequently Asked Questions

What is the IUPAC name of N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide (CID 2945274) is N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide is NC(=NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide?
The InChIKey is DNSXICDTIWAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c14-13(10-6-2-1-3-7-10)15-21(19,20)12-9-5-4-8-11(12)16(17)18/h1-9H,(H2,14,15).
What are the key properties of N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide?
N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide has a molecular weight of 305.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-nitrophenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2945274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).