N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide

C9H9FN4O2S2 — CID 107641599

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ncccc2F)s1
InChIInChI=1S/C9H9FN4O2S2/c1-2-7-12-13-9(17-7)14-18(15,16)8-6(10)4-3-5-11-8/h3-5H,2H2,1H3,(H,13,14)
InChIKeyOFZJQTUWFLOYJS-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.44
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide (PubChem CID 107641599) has the molecular formula C9H9FN4O2S2 and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide
PubChem CID107641599
Molecular FormulaC9H9FN4O2S2
Molecular Weight288.33 g/mol
Exact Mass288.02
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ncccc2F)s1
InChIInChI=1S/C9H9FN4O2S2/c1-2-7-12-13-9(17-7)14-18(15,16)8-6(10)4-3-5-11-8/h3-5H,2H2,1H3,(H,13,14)
InChIKeyOFZJQTUWFLOYJS-UHFFFAOYSA-N
XLogP1.44
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-sulfonamide
CID 2524074
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-sulfonamide
CID 71851447
N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 71970105
4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 856730
4-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35523682
3-fluoro-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71858213
4-fluoro-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71858215
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476459
5-fluoro-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 84588436
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-fluoropyridine-2-sulfonamide
CID 103298527
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-fluoropyridine-2-sulfonamide
CID 103298532
2-[[5-[(3-Fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 103298753

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide (CID 107641599) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide is CCc1nnc(NS(=O)(=O)c2ncccc2F)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is OFZJQTUWFLOYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2S2/c1-2-7-12-13-9(17-7)14-18(15,16)8-6(10)4-3-5-11-8/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 107641599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).