N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide

C10H7FN4O2S3 — CID 25036265

IUPACN-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide
SMILESN#CCSc1nnc(NS(=O)(=O)c2cccc(F)c2)s1
InChIInChI=1S/C10H7FN4O2S3/c11-7-2-1-3-8(6-7)20(16,17)15-9-13-14-10(19-9)18-5-4-12/h1-3,6H,5H2,(H,13,15)
InChIKeyOQWJGDGICZWMRJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.09
Rot. Bonds5

About N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide

N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide (PubChem CID 25036265) has the molecular formula C10H7FN4O2S3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide
PubChem CID25036265
Molecular FormulaC10H7FN4O2S3
Molecular Weight330.39 g/mol
Exact Mass329.97
IUPAC NameN-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide
SMILESN#CCSc1nnc(NS(=O)(=O)c2cccc(F)c2)s1
InChIInChI=1S/C10H7FN4O2S3/c11-7-2-1-3-8(6-7)20(16,17)15-9-13-14-10(19-9)18-5-4-12/h1-3,6H,5H2,(H,13,15)
InChIKeyOQWJGDGICZWMRJ-UHFFFAOYSA-N
XLogP2.09
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide (CID 25036265) is N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide is N#CCSc1nnc(NS(=O)(=O)c2cccc(F)c2)s1.
What is the InChIKey of N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide?
The InChIKey is OQWJGDGICZWMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O2S3/c11-7-2-1-3-8(6-7)20(16,17)15-9-13-14-10(19-9)18-5-4-12/h1-3,6H,5H2,(H,13,15).
What are the key properties of N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide?
N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide has a molecular weight of 330.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 25036265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).