2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide

C14H12F3N7O2S2 — CID 134823682

IUPAC2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2snc3ncccc23)c1C1NNNN1
InChIInChI=1S/C14H12F3N7O2S2/c15-14(16,17)8-4-3-6(10-7-2-1-5-19-12(7)22-27-10)9(11(8)28(18,25)26)13-20-23-24-21-13/h1-5,13,20-21,23-24H,(H2,18,25,26)
InChIKeyDLTCQFQJERVJHM-UHFFFAOYSA-N
MW431.43 g/mol
LogP1.14
Rot. Bonds3

About 2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide

2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823682) has the molecular formula C14H12F3N7O2S2 and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823682
Molecular FormulaC14H12F3N7O2S2
Molecular Weight431.43 g/mol
Exact Mass431.04
IUPAC Name2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2snc3ncccc23)c1C1NNNN1
InChIInChI=1S/C14H12F3N7O2S2/c15-14(16,17)8-4-3-6(10-7-2-1-5-19-12(7)22-27-10)9(11(8)28(18,25)26)13-20-23-24-21-13/h1-5,13,20-21,23-24H,(H2,18,25,26)
InChIKeyDLTCQFQJERVJHM-UHFFFAOYSA-N
XLogP1.14
TPSA134.06 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 51.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823682) is 2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2snc3ncccc23)c1C1NNNN1.
What is the InChIKey of 2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DLTCQFQJERVJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N7O2S2/c15-14(16,17)8-4-3-6(10-7-2-1-5-19-12(7)22-27-10)9(11(8)28(18,25)26)13-20-23-24-21-13/h1-5,13,20-21,23-24H,(H2,18,25,26).
What are the key properties of 2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide?
2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 431.43 g/mol, XLogP of 1.14, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazolidin-5-yl)-3-([1,2]thiazolo[3,4-b]pyridin-3-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).