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

C10H10FN3O2S2 — CID 71859529

IUPAC4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(F)cc2C)s1
InChIInChI=1S/C10H10FN3O2S2/c1-6-5-8(11)3-4-9(6)18(15,16)14-10-13-12-7(2)17-10/h3-5H,1-2H3,(H,13,14)
InChIKeyJZWUKXXQUCLRHX-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.09
Rot. Bonds3

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

4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 71859529) has the molecular formula C10H10FN3O2S2 and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID71859529
Molecular FormulaC10H10FN3O2S2
Molecular Weight287.34 g/mol
Exact Mass287.02
IUPAC Name4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(F)cc2C)s1
InChIInChI=1S/C10H10FN3O2S2/c1-6-5-8(11)3-4-9(6)18(15,16)14-10-13-12-7(2)17-10/h3-5H,1-2H3,(H,13,14)
InChIKeyJZWUKXXQUCLRHX-UHFFFAOYSA-N
XLogP2.09
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 71859529) is 4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(F)cc2C)s1.
What is the InChIKey of 4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is JZWUKXXQUCLRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S2/c1-6-5-8(11)3-4-9(6)18(15,16)14-10-13-12-7(2)17-10/h3-5H,1-2H3,(H,13,14).
What are the key properties of 4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71859529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).