2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide

C8H5F3N4O2S2 — CID 151067275

IUPAC2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1ncns1
InChIInChI=1S/C8H5F3N4O2S2/c9-8(10,11)4-1-5(19(12,16)17)6(13-2-4)7-14-3-15-18-7/h1-3H,(H2,12,16,17)
InChIKeyMHJSMKYNMODHMR-UHFFFAOYSA-N
MW310.28 g/mol
LogP1.27
Rot. Bonds2

About 2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide

2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 151067275) has the molecular formula C8H5F3N4O2S2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID151067275
Molecular FormulaC8H5F3N4O2S2
Molecular Weight310.28 g/mol
Exact Mass309.98
IUPAC Name2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1ncns1
InChIInChI=1S/C8H5F3N4O2S2/c9-8(10,11)4-1-5(19(12,16)17)6(13-2-4)7-14-3-15-18-7/h1-3H,(H2,12,16,17)
InChIKeyMHJSMKYNMODHMR-UHFFFAOYSA-N
XLogP1.27
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 131297996
2-amino-5-(trifluoromethyl)benzenesulfonamide
CID 11333908
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole
CID 126732588
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
CID 154619153
2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118832269
2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 57361942
2-iodo-5-(trifluoromethyl)pyridine-4-sulfonamide
CID 131297995
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
CID 154619151
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 133090076
2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 122525641
3-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-methylpyridazine
CID 145380726
2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 162420965

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide (CID 151067275) is 2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide is NS(=O)(=O)c1cc(C(F)(F)F)cnc1-c1ncns1.
What is the InChIKey of 2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is MHJSMKYNMODHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O2S2/c9-8(10,11)4-1-5(19(12,16)17)6(13-2-4)7-14-3-15-18-7/h1-3H,(H2,12,16,17).
What are the key properties of 2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide?
2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 310.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 151067275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).