1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide

C8H10N4O6S2 — CID 89277792

IUPAC1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide
SMILESCN(N=O)S(=O)(=O)c1cccc(S(=O)(=O)N(C)N=O)c1
InChIInChI=1S/C8H10N4O6S2/c1-11(9-13)19(15,16)7-4-3-5-8(6-7)20(17,18)12(2)10-14/h3-6H,1-2H3
InChIKeySHDJFBDLLQOGRM-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.29
Rot. Bonds6

About 1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide

1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide (PubChem CID 89277792) has the molecular formula C8H10N4O6S2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide
PubChem CID89277792
Molecular FormulaC8H10N4O6S2
Molecular Weight322.32 g/mol
Exact Mass322.00
IUPAC Name1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide
SMILESCN(N=O)S(=O)(=O)c1cccc(S(=O)(=O)N(C)N=O)c1
InChIInChI=1S/C8H10N4O6S2/c1-11(9-13)19(15,16)7-4-3-5-8(6-7)20(17,18)12(2)10-14/h3-6H,1-2H3
InChIKeySHDJFBDLLQOGRM-UHFFFAOYSA-N
XLogP0.29
TPSA133.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
N,N-dimethyl-3-nitrosobenzenesulfonamide
CID 146930978
1-N,1-N,3-N,3-N-tetrachlorobenzene-1,3-disulfonamide
CID 19375340
N,N-dimethylazulene-5-sulfonamide
CID 67469153
N,N-dimethyl-3-methylsulfanylbenzenesulfonamide
CID 149258348
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
CID 71291795
CID 71291795
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
3-ethynyl-N,N-dimethylbenzenesulfonamide
CID 129210848
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide?
The IUPAC name of 1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide (CID 89277792) is 1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide.
What is the SMILES notation for 1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide?
The canonical SMILES for 1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide is CN(N=O)S(=O)(=O)c1cccc(S(=O)(=O)N(C)N=O)c1.
What is the InChIKey of 1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide?
The InChIKey is SHDJFBDLLQOGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O6S2/c1-11(9-13)19(15,16)7-4-3-5-8(6-7)20(17,18)12(2)10-14/h3-6H,1-2H3.
What are the key properties of 1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide?
1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide has a molecular weight of 322.32 g/mol, XLogP of 0.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-1-N,3-N-dinitrosobenzene-1,3-disulfonamide is sourced from PubChem (CID 89277792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).