N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide

C11H12FN3O2S2 — CID 71368238

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(F)ccc2C)s1
InChIInChI=1S/C11H12FN3O2S2/c1-3-10-13-14-11(18-10)15-19(16,17)9-6-8(12)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyUVAXYXIHLOKBCI-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.35
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 71368238) has the molecular formula C11H12FN3O2S2 and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID71368238
Molecular FormulaC11H12FN3O2S2
Molecular Weight301.37 g/mol
Exact Mass301.04
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cc(F)ccc2C)s1
InChIInChI=1S/C11H12FN3O2S2/c1-3-10-13-14-11(18-10)15-19(16,17)9-6-8(12)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyUVAXYXIHLOKBCI-UHFFFAOYSA-N
XLogP2.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide (CID 71368238) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide is CCc1nnc(NS(=O)(=O)c2cc(F)ccc2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is UVAXYXIHLOKBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S2/c1-3-10-13-14-11(18-10)15-19(16,17)9-6-8(12)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 71368238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).