dimethylsulfonio-(2-nitrophenyl)sulfonylazanide

C8H10N2O4S2 — CID 177427762

IUPACdimethylsulfonio-(2-nitrophenyl)sulfonylazanide
SMILESC[S+](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4S2/c1-15(2)9-16(13,14)8-6-4-3-5-7(8)10(11)12/h3-6H,1-2H3
InChIKeyXTHDAVFSMIHZLH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.45
Rot. Bonds4

About dimethylsulfonio-(2-nitrophenyl)sulfonylazanide

dimethylsulfonio-(2-nitrophenyl)sulfonylazanide (PubChem CID 177427762) has the molecular formula C8H10N2O4S2 and a molecular weight of 262.31 g/mol. Its IUPAC name is dimethylsulfonio-(2-nitrophenyl)sulfonylazanide.

Molecular Properties

Compound Namedimethylsulfonio-(2-nitrophenyl)sulfonylazanide
PubChem CID177427762
Molecular FormulaC8H10N2O4S2
Molecular Weight262.31 g/mol
Exact Mass262.01
IUPAC Namedimethylsulfonio-(2-nitrophenyl)sulfonylazanide
SMILESC[S+](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4S2/c1-15(2)9-16(13,14)8-6-4-3-5-7(8)10(11)12/h3-6H,1-2H3
InChIKeyXTHDAVFSMIHZLH-UHFFFAOYSA-N
XLogP1.45
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', '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

1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
(4-methylphenyl)-(2-nitrophenyl)sulfonylazanide
CID 4740162
ethane;1-methylsulfonyl-2-nitrobenzene
CID 143845795
1-ethylsulfonyl-2-nitrobenzene
CID 12646354
iron(2+);bis(2-nitrobenzenesulfonate)
CID 141179187
(2-nitrophenyl)sulfonylazanide;uranium
CID 169307604
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
1-(4-tert-butylphenyl)sulfonyl-2-nitrobenzene
CID 71398625
N,N-bis[(2S)-butan-2-yl]-2-nitrobenzenesulfonamide
CID 845097
N,N-di(butan-2-yl)-2-nitrobenzenesulfonamide
CID 2933512
(NE)-N-(2,2-dimethylpropylidene)-2-nitrobenzenesulfonamide
CID 135073989
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002

Frequently Asked Questions

What is the IUPAC name of dimethylsulfonio-(2-nitrophenyl)sulfonylazanide?
The IUPAC name of dimethylsulfonio-(2-nitrophenyl)sulfonylazanide (CID 177427762) is dimethylsulfonio-(2-nitrophenyl)sulfonylazanide.
What is the SMILES notation for dimethylsulfonio-(2-nitrophenyl)sulfonylazanide?
The canonical SMILES for dimethylsulfonio-(2-nitrophenyl)sulfonylazanide is C[S+](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of dimethylsulfonio-(2-nitrophenyl)sulfonylazanide?
The InChIKey is XTHDAVFSMIHZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S2/c1-15(2)9-16(13,14)8-6-4-3-5-7(8)10(11)12/h3-6H,1-2H3.
What are the key properties of dimethylsulfonio-(2-nitrophenyl)sulfonylazanide?
dimethylsulfonio-(2-nitrophenyl)sulfonylazanide has a molecular weight of 262.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsulfonio-(2-nitrophenyl)sulfonylazanide is sourced from PubChem (CID 177427762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).