3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide

C8H10N8O4S — CID 82847860

IUPAC3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide
SMILESCn1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(NN)c2)n1
InChIInChI=1S/C8H10N8O4S/c1-15-12-8(11-14-15)13-21(19,20)5-2-3-7(16(17)18)6(4-5)10-9/h2-4,10H,9H2,1H3,(H,12,13)
InChIKeySZVTZDLSQZTOFM-UHFFFAOYSA-N
MW314.29 g/mol
LogP-0.80
Rot. Bonds5

About 3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide

3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide (PubChem CID 82847860) has the molecular formula C8H10N8O4S and a molecular weight of 314.29 g/mol. Its IUPAC name is 3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide
PubChem CID82847860
Molecular FormulaC8H10N8O4S
Molecular Weight314.29 g/mol
Exact Mass314.05
IUPAC Name3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide
SMILESCn1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(NN)c2)n1
InChIInChI=1S/C8H10N8O4S/c1-15-12-8(11-14-15)13-21(19,20)5-2-3-7(16(17)18)6(4-5)10-9/h2-4,10H,9H2,1H3,(H,12,13)
InChIKeySZVTZDLSQZTOFM-UHFFFAOYSA-N
XLogP-0.80
TPSA170.96 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyltetrazol-5-yl)benzenesulfonamide
CID 107652797
N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847704
3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
CID 82854516
3-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 82847849
N-cyclopentyl-3-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 82847526
N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847825
N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82854442
[1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 82847679
3-hydrazinyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 82847839
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
1-(3-hydrazinyl-4-nitrophenyl)sulfonylpyrrolidine-3,4-diol
CID 106670078
3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 82847527

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of 3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide (CID 82847860) is 3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide is Cn1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(NN)c2)n1.
What is the InChIKey of 3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide?
The InChIKey is SZVTZDLSQZTOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8O4S/c1-15-12-8(11-14-15)13-21(19,20)5-2-3-7(16(17)18)6(4-5)10-9/h2-4,10H,9H2,1H3,(H,12,13).
What are the key properties of 3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide?
3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide has a molecular weight of 314.29 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(2-methyltetrazol-5-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 82847860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).