N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene

C18H26N12O10S5 — CID 157429719

IUPACN-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene
SMILESCCS(=O)(=O)N=[N+]=[N-].CS(=O)(=O)N=[N+]=[N-].CS(=O)(=O)N=[N+]=[N-].Cc1ccc(S(C)(=O)=O)cc1.[N-]=[N+]=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10O2S.C6H5N3O2S.C2H5N3O2S.2CH3N3O2S/c1-7-3-5-8(6-4-7)11(2,9)10;7-8-9-12(10,11)6-4-2-1-3-5-6;1-2-8(6,7)5-4-3;2*1-7(5,6)4-3-2/h3-6H,1-2H3;1-5H;2H2,1H3;2*1H3
InChIKeyBQJQKEIFNLIIJP-UHFFFAOYSA-N
MW730.81 g/mol
LogP4.24
Rot. Bonds7

About N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene

N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene (PubChem CID 157429719) has the molecular formula C18H26N12O10S5 and a molecular weight of 730.81 g/mol. Its IUPAC name is N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene.

Molecular Properties

Compound NameN-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene
PubChem CID157429719
Molecular FormulaC18H26N12O10S5
Molecular Weight730.81 g/mol
Exact Mass730.05
IUPAC NameN-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene
SMILESCCS(=O)(=O)N=[N+]=[N-].CS(=O)(=O)N=[N+]=[N-].CS(=O)(=O)N=[N+]=[N-].Cc1ccc(S(C)(=O)=O)cc1.[N-]=[N+]=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10O2S.C6H5N3O2S.C2H5N3O2S.2CH3N3O2S/c1-7-3-5-8(6-4-7)11(2,9)10;7-8-9-12(10,11)6-4-2-1-3-5-6;1-2-8(6,7)5-4-3;2*1-7(5,6)4-3-2/h3-6H,1-2H3;1-5H;2H2,1H3;2*1H3
InChIKeyBQJQKEIFNLIIJP-UHFFFAOYSA-N
XLogP4.24
TPSA365.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500730.81
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-diazo-4-methylsulfonylbenzenesulfonamide
CID 43286601
N-diazo-4-methylbenzenesulfonamide
CID 13661
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
ethane;5-methyl-1-methylsulfonylcyclodeca-1,3,5,7,9-pentaene
CID 143718879
dichloromethane;1-methyl-4-methylsulfonylbenzene
CID 175095378
N-diazobenzenesulfonamide;prop-1-ene;pyran-2-one
CID 174921583
ethoxymethylbenzene;methane;1-methyl-4-methylsulfonylbenzene
CID 161269952
N-diazo-4-(4-ethylphenoxy)benzenesulfonamide
CID 91323840
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
N-diazo-4-(5-oxo-4-phenyl-2H-furan-3-yl)benzenesulfonamide
CID 11473296
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
azidoethane;4-methylbenzenesulfonic acid
CID 175041595

Frequently Asked Questions

What is the IUPAC name of N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene?
The IUPAC name of N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene (CID 157429719) is N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene.
What is the SMILES notation for N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene?
The canonical SMILES for N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene is CCS(=O)(=O)N=[N+]=[N-].CS(=O)(=O)N=[N+]=[N-].CS(=O)(=O)N=[N+]=[N-].Cc1ccc(S(C)(=O)=O)cc1.[N-]=[N+]=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene?
The InChIKey is BQJQKEIFNLIIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S.C6H5N3O2S.C2H5N3O2S.2CH3N3O2S/c1-7-3-5-8(6-4-7)11(2,9)10;7-8-9-12(10,11)6-4-2-1-3-5-6;1-2-8(6,7)5-4-3;2*1-7(5,6)4-3-2/h3-6H,1-2H3;1-5H;2H2,1H3;2*1H3.
What are the key properties of N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene?
N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene has a molecular weight of 730.81 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazobenzenesulfonamide;N-diazoethanesulfonamide;bis(N-diazomethanesulfonamide);1-methyl-4-methylsulfonylbenzene is sourced from PubChem (CID 157429719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).