2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide

C7H6N6O4S2 — CID 114914128

IUPAC2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C7H6N6O4S2/c8-5-3-4(13(14)15)1-2-6(5)19(16,17)10-7-9-11-12-18-7/h1-3H,8H2,(H,9,10,12)
InChIKeyOYBWIGVMYJDBFM-UHFFFAOYSA-N
MW302.30 g/mol
LogP0.22
Rot. Bonds4

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

2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide (PubChem CID 114914128) has the molecular formula C7H6N6O4S2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
PubChem CID114914128
Molecular FormulaC7H6N6O4S2
Molecular Weight302.30 g/mol
Exact Mass301.99
IUPAC Name2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESNc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C7H6N6O4S2/c8-5-3-4(13(14)15)1-2-6(5)19(16,17)10-7-9-11-12-18-7/h1-3H,8H2,(H,9,10,12)
InChIKeyOYBWIGVMYJDBFM-UHFFFAOYSA-N
XLogP0.22
TPSA154.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911766
2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589863
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847
4-amino-2-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911741
4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911735
2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
CID 62143538
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
CID 62162658
4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912915
2-amino-N-(3-ethylpentan-3-yl)-4-nitrobenzenesulfonamide
CID 65042718
2-[(2-amino-4-nitrophenyl)sulfonylamino]-3-methylbutanamide
CID 106347100
3-methyl-4-(thiatriazol-5-ylsulfamoyl)benzenecarbothioamide
CID 106998596
4-hydrazinyl-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912916

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide (CID 114914128) is 2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide is Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnns1.
What is the InChIKey of 2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide?
The InChIKey is OYBWIGVMYJDBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O4S2/c8-5-3-4(13(14)15)1-2-6(5)19(16,17)10-7-9-11-12-18-7/h1-3H,8H2,(H,9,10,12).
What are the key properties of 2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide?
2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide has a molecular weight of 302.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-nitro-N-(thiatriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114914128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).