2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide

C10H11FN4O2S2 — CID 107641392

IUPAC2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(F)ccc2N)s1
InChIInChI=1S/C10H11FN4O2S2/c1-2-9-13-14-10(18-9)15-19(16,17)8-5-6(11)3-4-7(8)12/h3-5H,2,12H2,1H3,(H,14,15)
InChIKeyURMWLLHJTALLLK-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.62
Rot. Bonds4

About 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide

2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide (PubChem CID 107641392) has the molecular formula C10H11FN4O2S2 and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide
PubChem CID107641392
Molecular FormulaC10H11FN4O2S2
Molecular Weight302.36 g/mol
Exact Mass302.03
IUPAC Name2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(F)ccc2N)s1
InChIInChI=1S/C10H11FN4O2S2/c1-2-9-13-14-10(18-9)15-19(16,17)8-5-6(11)3-4-7(8)12/h3-5H,2,12H2,1H3,(H,14,15)
InChIKeyURMWLLHJTALLLK-UHFFFAOYSA-N
XLogP1.62
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide (CID 107641392) is 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide is CCc1nnc(NS(=O)(=O)c2cc(F)ccc2N)s1.
What is the InChIKey of 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide?
The InChIKey is URMWLLHJTALLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S2/c1-2-9-13-14-10(18-9)15-19(16,17)8-5-6(11)3-4-7(8)12/h3-5H,2,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide?
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 107641392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).