(3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide

C11H13FN2O5S2 — CID 8843851

IUPAC(3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H13FN2O5S2/c12-9-3-1-2-4-10(9)21(18,19)14-13-11(15)8-5-6-20(16,17)7-8/h1-4,8,14H,5-7H2,(H,13,15)/t8-/m0/s1
InChIKeyUBNTYGPJFVZPJT-QMMMGPOBSA-N
MW336.37 g/mol
LogP-0.43
Rot. Bonds4

About (3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide

(3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide (PubChem CID 8843851) has the molecular formula C11H13FN2O5S2 and a molecular weight of 336.37 g/mol. Its IUPAC name is (3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide
PubChem CID8843851
Molecular FormulaC11H13FN2O5S2
Molecular Weight336.37 g/mol
Exact Mass336.02
IUPAC Name(3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H13FN2O5S2/c12-9-3-1-2-4-10(9)21(18,19)14-13-11(15)8-5-6-20(16,17)7-8/h1-4,8,14H,5-7H2,(H,13,15)/t8-/m0/s1
InChIKeyUBNTYGPJFVZPJT-QMMMGPOBSA-N
XLogP-0.43
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide?
The IUPAC name of (3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide (CID 8843851) is (3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide?
The canonical SMILES for (3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide?
The InChIKey is UBNTYGPJFVZPJT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13FN2O5S2/c12-9-3-1-2-4-10(9)21(18,19)14-13-11(15)8-5-6-20(16,17)7-8/h1-4,8,14H,5-7H2,(H,13,15)/t8-/m0/s1.
What are the key properties of (3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide?
(3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide has a molecular weight of 336.37 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-(2-fluorophenyl)sulfonyl-1,1-dioxothiolane-3-carbohydrazide is sourced from PubChem (CID 8843851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).