N'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide

C10H10N4O3S2 — CID 1491461

IUPACN'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10N4O3S2/c1-7-9(18-13-11-7)10(15)12-14-19(16,17)8-5-3-2-4-6-8/h2-6,14H,1H3,(H,12,15)
InChIKeyBEFSAELAHXDBAT-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.47
Rot. Bonds4

About N'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide

N'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide (PubChem CID 1491461) has the molecular formula C10H10N4O3S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide
PubChem CID1491461
Molecular FormulaC10H10N4O3S2
Molecular Weight298.35 g/mol
Exact Mass298.02
IUPAC NameN'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10N4O3S2/c1-7-9(18-13-11-7)10(15)12-14-19(16,17)8-5-3-2-4-6-8/h2-6,14H,1H3,(H,12,15)
InChIKeyBEFSAELAHXDBAT-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'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide (CID 1491461) is N'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is BEFSAELAHXDBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S2/c1-7-9(18-13-11-7)10(15)12-14-19(16,17)8-5-3-2-4-6-8/h2-6,14H,1H3,(H,12,15).
What are the key properties of N'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide?
N'-(benzenesulfonyl)-4-methylthiadiazole-5-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'-(benzenesulfonyl)-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 1491461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).