4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide

C8H9N7O4S2 — CID 114912915

IUPAC4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESCc1cc(NN)c([N+](=O)[O-])cc1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C8H9N7O4S2/c1-4-2-5(10-9)6(15(16)17)3-7(4)21(18,19)12-8-11-13-14-20-8/h2-3,10H,9H2,1H3,(H,11,12,14)
InChIKeyLVFLDWUROWTHOU-UHFFFAOYSA-N
MW331.34 g/mol
LogP0.24
Rot. Bonds5

About 4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide

4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide (PubChem CID 114912915) has the molecular formula C8H9N7O4S2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
PubChem CID114912915
Molecular FormulaC8H9N7O4S2
Molecular Weight331.34 g/mol
Exact Mass331.02
IUPAC Name4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESCc1cc(NN)c([N+](=O)[O-])cc1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C8H9N7O4S2/c1-4-2-5(10-9)6(15(16)17)3-7(4)21(18,19)12-8-11-13-14-20-8/h2-3,10H,9H2,1H3,(H,11,12,14)
InChIKeyLVFLDWUROWTHOU-UHFFFAOYSA-N
XLogP0.24
TPSA166.03 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 50.24
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

2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114914128
3-methyl-4-(thiatriazol-5-ylsulfamoyl)benzenecarbothioamide
CID 106998596
4-hydrazinyl-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912916
3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide
CID 107326285
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
4-amino-2-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911741
2-hydrazinyl-N-(thiatriazol-5-yl)pyridine-4-sulfonamide
CID 114912904
4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911735
2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911766
4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 43325334
methyl 4-amino-2-(thiatriazol-5-ylsulfamoyl)benzoate
CID 102931797
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120711867

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide (CID 114912915) is 4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide is Cc1cc(NN)c([N+](=O)[O-])cc1S(=O)(=O)Nc1nnns1.
What is the InChIKey of 4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide?
The InChIKey is LVFLDWUROWTHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O4S2/c1-4-2-5(10-9)6(15(16)17)3-7(4)21(18,19)12-8-11-13-14-20-8/h2-3,10H,9H2,1H3,(H,11,12,14).
What are the key properties of 4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide?
4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide has a molecular weight of 331.34 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114912915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).