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

C10H10FN3O2S3 — CID 3509740

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCCSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C10H10FN3O2S3/c1-2-17-10-13-12-9(18-10)14-19(15,16)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14)
InChIKeyKRBNVRREAGZDFJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.59
Rot. Bonds5

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 3509740) has the molecular formula C10H10FN3O2S3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
PubChem CID3509740
Molecular FormulaC10H10FN3O2S3
Molecular Weight319.41 g/mol
Exact Mass318.99
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCCSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C10H10FN3O2S3/c1-2-17-10-13-12-9(18-10)14-19(15,16)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14)
InChIKeyKRBNVRREAGZDFJ-UHFFFAOYSA-N
XLogP2.59
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide (CID 3509740) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide is CCSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is KRBNVRREAGZDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S3/c1-2-17-10-13-12-9(18-10)14-19(15,16)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3509740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).