3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C17H11F3N6O2S — CID 118256898

IUPAC3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1
InChIInChI=1S/C17H11F3N6O2S/c18-17(19,20)12-7-6-11(9-3-1-5-13-10(9)4-2-8-22-13)14(15(12)29(21,27)28)16-23-25-26-24-16/h1-8H,(H2,21,27,28)(H,23,24,25,26)
InChIKeyDMGNHLTVWFZHMF-UHFFFAOYSA-N
MW420.38 g/mol
LogP2.75
Rot. Bonds3

About 3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118256898) has the molecular formula C17H11F3N6O2S and a molecular weight of 420.38 g/mol. Its IUPAC name is 3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118256898
Molecular FormulaC17H11F3N6O2S
Molecular Weight420.38 g/mol
Exact Mass420.06
IUPAC Name3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1
InChIInChI=1S/C17H11F3N6O2S/c18-17(19,20)12-7-6-11(9-3-1-5-13-10(9)4-2-8-22-13)14(15(12)29(21,27)28)16-23-25-26-24-16/h1-8H,(H2,21,27,28)(H,23,24,25,26)
InChIKeyDMGNHLTVWFZHMF-UHFFFAOYSA-N
XLogP2.75
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118256898) is 3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2cccc3ncccc23)c1-c1nn[nH]n1.
What is the InChIKey of 3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DMGNHLTVWFZHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O2S/c18-17(19,20)12-7-6-11(9-3-1-5-13-10(9)4-2-8-22-13)14(15(12)29(21,27)28)16-23-25-26-24-16/h1-8H,(H2,21,27,28)(H,23,24,25,26).
What are the key properties of 3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 420.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-5-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118256898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).