4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C10H9F2N3O2S2 — CID 145285653

IUPAC4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCCc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F
InChIInChI=1S/C10H9F2N3O2S2/c1-2-6-3-8(12)9(4-7(6)11)19(16,17)15-10-13-5-14-18-10/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyGPJLLAROJDREEP-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.18
Rot. Bonds4

About 4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 145285653) has the molecular formula C10H9F2N3O2S2 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID145285653
Molecular FormulaC10H9F2N3O2S2
Molecular Weight305.33 g/mol
Exact Mass305.01
IUPAC Name4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCCc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F
InChIInChI=1S/C10H9F2N3O2S2/c1-2-6-3-8(12)9(4-7(6)11)19(16,17)15-10-13-5-14-18-10/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyGPJLLAROJDREEP-UHFFFAOYSA-N
XLogP2.18
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Amino-1,2,4-thiadiazol-3-yl)-4-methylbenzenesulfonamide
CID 651962
1,2,4-Thiadiazole, 3,5-diamino-, p-toluenesulfonate
CID 199989
3-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 58042302
2,3-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905309
3-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905458
2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905667
2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 66905805
2,4,5-trifluoro-N-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 89545277
N-(1,2,4-thiadiazol-5-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 89615706
4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 108480991
3,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 117599760
2,5-difluoro-N-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 117600104

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 145285653) is 4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is CCc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F.
What is the InChIKey of 4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is GPJLLAROJDREEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2S2/c1-2-6-3-8(12)9(4-7(6)11)19(16,17)15-10-13-5-14-18-10/h3-5H,2H2,1H3,(H,13,14,15).
What are the key properties of 4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 145285653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).