N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide

C10H9FN4O3S2 — CID 1491463

IUPACN'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H9FN4O3S2/c1-6-9(19-14-12-6)10(16)13-15-20(17,18)8-4-2-7(11)3-5-8/h2-5,15H,1H3,(H,13,16)
InChIKeyRTPVNMPYVCBERT-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.61
Rot. Bonds4

About N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide

N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide (PubChem CID 1491463) has the molecular formula C10H9FN4O3S2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide
PubChem CID1491463
Molecular FormulaC10H9FN4O3S2
Molecular Weight316.34 g/mol
Exact Mass316.01
IUPAC NameN'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H9FN4O3S2/c1-6-9(19-14-12-6)10(16)13-15-20(17,18)8-4-2-7(11)3-5-8/h2-5,15H,1H3,(H,13,16)
InChIKeyRTPVNMPYVCBERT-UHFFFAOYSA-N
XLogP0.61
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.61
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-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide (CID 1491463) is N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide?
The InChIKey is RTPVNMPYVCBERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O3S2/c1-6-9(19-14-12-6)10(16)13-15-20(17,18)8-4-2-7(11)3-5-8/h2-5,15H,1H3,(H,13,16).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide?
N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide has a molecular weight of 316.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-4-methylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 1491463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).