N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide

C10H10N4O3S2 — CID 849430

IUPACN'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2csnn2)cc1
InChIInChI=1S/C10H10N4O3S2/c1-7-2-4-8(5-3-7)19(16,17)14-12-10(15)9-6-18-13-11-9/h2-6,14H,1H3,(H,12,15)
InChIKeyXGWDGLILYWGPKX-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.47
Rot. Bonds4

About N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide

N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide (PubChem CID 849430) has the molecular formula C10H10N4O3S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide
PubChem CID849430
Molecular FormulaC10H10N4O3S2
Molecular Weight298.35 g/mol
Exact Mass298.02
IUPAC NameN'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2csnn2)cc1
InChIInChI=1S/C10H10N4O3S2/c1-7-2-4-8(5-3-7)19(16,17)14-12-10(15)9-6-18-13-11-9/h2-6,14H,1H3,(H,12,15)
InChIKeyXGWDGLILYWGPKX-UHFFFAOYSA-N
XLogP0.47
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide?
The IUPAC name of N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide (CID 849430) is N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2csnn2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide?
The InChIKey is XGWDGLILYWGPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S2/c1-7-2-4-8(5-3-7)19(16,17)14-12-10(15)9-6-18-13-11-9/h2-6,14H,1H3,(H,12,15).
What are the key properties of N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide?
N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide has a molecular weight of 298.35 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonylthiadiazole-4-carbohydrazide is sourced from PubChem (CID 849430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).