4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C9H8FN3O2S3 — CID 837016

IUPAC4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C9H8FN3O2S3/c1-16-9-12-11-8(17-9)13-18(14,15)7-4-2-6(10)3-5-7/h2-5H,1H3,(H,11,13)
InChIKeyABRCORGCSPHQHU-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.20
Rot. Bonds4

About 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 837016) has the molecular formula C9H8FN3O2S3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID837016
Molecular FormulaC9H8FN3O2S3
Molecular Weight305.38 g/mol
Exact Mass304.98
IUPAC Name4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C9H8FN3O2S3/c1-16-9-12-11-8(17-9)13-18(14,15)7-4-2-6(10)3-5-7/h2-5H,1H3,(H,11,13)
InChIKeyABRCORGCSPHQHU-UHFFFAOYSA-N
XLogP2.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 837016) is 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is ABRCORGCSPHQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2S3/c1-16-9-12-11-8(17-9)13-18(14,15)7-4-2-6(10)3-5-7/h2-5H,1H3,(H,11,13).
What are the key properties of 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 305.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 837016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).