sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide

C5H6N9NaO2S — CID 158158039

IUPACsodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide
SMILESCC#N.[N-]=[N+]=NS(=O)(=O)n1ccnc1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C3H3N5O2S.C2H3N.N3.Na/c4-6-7-11(9,10)8-2-1-5-3-8;1-2-3;1-3-2;/h1-3H;1H3;;/q;;-1;+1
InChIKeyDRNRURPVXMCHSL-UHFFFAOYSA-N
MW279.22 g/mol
LogP-1.31
Rot. Bonds2

About sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide

sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide (PubChem CID 158158039) has the molecular formula C5H6N9NaO2S and a molecular weight of 279.22 g/mol. Its IUPAC name is sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide.

Molecular Properties

Compound Namesodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide
PubChem CID158158039
Molecular FormulaC5H6N9NaO2S
Molecular Weight279.22 g/mol
Exact Mass279.03
IUPAC Namesodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide
SMILESCC#N.[N-]=[N+]=NS(=O)(=O)n1ccnc1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C3H3N5O2S.C2H3N.N3.Na/c4-6-7-11(9,10)8-2-1-5-3-8;1-2-3;1-3-2;/h1-3H;1H3;;/q;;-1;+1
InChIKeyDRNRURPVXMCHSL-UHFFFAOYSA-N
XLogP-1.31
TPSA183.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

sodium;hydride;imidazole-1-sulfonic acid
CID 174835950
N-tert-butylimidazole-1-sulfonamide
CID 174183105
imidazol-1-yl-dimethyl-sulfanyl-λ4-sulfane
CID 146659083
acetonitrile;1-ethenylimidazole
CID 175188267
6-cyano-N-diazobenzimidazole-1-sulfonamide
CID 134298677
5-chloro-2-imidazol-1-ylsulfonyl-4,6-dimethylpyridine-3-carbonitrile
CID 671534
azane;1-(4-methylphenyl)sulfonylimidazole
CID 174813676
1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]imidazole
CID 86634167
silver;acetonitrile;1-butylimidazole;trifluoromethanesulfonate
CID 158206653
sulfuryl diazide
CID 15191028
1-(4-nitrophenyl)sulfonylimidazole
CID 3563121
N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide
CID 90436664

Frequently Asked Questions

What is the IUPAC name of sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide?
The IUPAC name of sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide (CID 158158039) is sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide.
What is the SMILES notation for sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide?
The canonical SMILES for sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide is CC#N.[N-]=[N+]=NS(=O)(=O)n1ccnc1.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide?
The InChIKey is DRNRURPVXMCHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N5O2S.C2H3N.N3.Na/c4-6-7-11(9,10)8-2-1-5-3-8;1-2-3;1-3-2;/h1-3H;1H3;;/q;;-1;+1.
What are the key properties of sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide?
sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide has a molecular weight of 279.22 g/mol, XLogP of -1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetonitrile;N-diazoimidazole-1-sulfonamide;azide is sourced from PubChem (CID 158158039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).