methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium

C9H13N2O4S2+ — CID 143590956

IUPACmethoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium
SMILESCO[N+](=O)c1ccc(S(C)=NS(C)(=O)=O)cc1
InChIInChI=1S/C9H13N2O4S2/c1-15-11(12)8-4-6-9(7-5-8)16(2)10-17(3,13)14/h4-7H,1-3H3/q+1
InChIKeyBOYRWDLWWAANCX-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.41
Rot. Bonds4

About methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium

methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium (PubChem CID 143590956) has the molecular formula C9H13N2O4S2+ and a molecular weight of 277.35 g/mol. Its IUPAC name is methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium.

Molecular Properties

Compound Namemethoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium
PubChem CID143590956
Molecular FormulaC9H13N2O4S2+
Molecular Weight277.35 g/mol
Exact Mass277.03
IUPAC Namemethoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium
SMILESCO[N+](=O)c1ccc(S(C)=NS(C)(=O)=O)cc1
InChIInChI=1S/C9H13N2O4S2/c1-15-11(12)8-4-6-9(7-5-8)16(2)10-17(3,13)14/h4-7H,1-3H3/q+1
InChIKeyBOYRWDLWWAANCX-UHFFFAOYSA-N
XLogP1.41
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Nitrobenzenesulfonamide
CID 22784
Benzene, 1,1'-thiobis[4-nitro-
CID 14655
Bis(4-nitrophenyl) sulphone
CID 70871
4-Nitrobenzenesulfonyl chloride
CID 7404
4-Nitrophenyl methyl sulfide
CID 96109
4-((4-Nitrophenyl)sulfonyl)benzenamine
CID 74762
Sulfone, 2-chloroethyl p-nitrophenyl
CID 80935
1,1'-Sulfinylbis(4-nitrobenzene)
CID 96633
1-(Ethenesulfonyl)-4-nitrobenzene
CID 305586
4-Nitrophenyl phenyl sulfone
CID 96708
1-(Methylsulfonyl)-4-nitrobenzene
CID 258434
1-Nitro-4-trifluoromethanesulfonylbenzene
CID 604099

Frequently Asked Questions

What is the IUPAC name of methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium?
The IUPAC name of methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium (CID 143590956) is methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium.
What is the SMILES notation for methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium?
The canonical SMILES for methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium is CO[N+](=O)c1ccc(S(C)=NS(C)(=O)=O)cc1.
What is the InChIKey of methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium?
The InChIKey is BOYRWDLWWAANCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O4S2/c1-15-11(12)8-4-6-9(7-5-8)16(2)10-17(3,13)14/h4-7H,1-3H3/q+1.
What are the key properties of methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium?
methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium has a molecular weight of 277.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[4-(S-methyl-N-methylsulfonylsulfinimidoyl)phenyl]-oxoazanium is sourced from PubChem (CID 143590956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).