3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C17H12F3N7O2S — CID 118266335

IUPAC3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc2cccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1
InChIInChI=1S/C17H12F3N7O2S/c18-17(19,20)11-6-5-9(10-3-1-2-8-4-7-12(21)23-14(8)10)13(15(11)30(22,28)29)16-24-26-27-25-16/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)
InChIKeyFEIKQQMUNRZBMF-UHFFFAOYSA-N
MW435.39 g/mol
LogP2.33
Rot. Bonds3

About 3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118266335) has the molecular formula C17H12F3N7O2S and a molecular weight of 435.39 g/mol. Its IUPAC name is 3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118266335
Molecular FormulaC17H12F3N7O2S
Molecular Weight435.39 g/mol
Exact Mass435.07
IUPAC Name3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc2cccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1
InChIInChI=1S/C17H12F3N7O2S/c18-17(19,20)11-6-5-9(10-3-1-2-8-4-7-12(21)23-14(8)10)13(15(11)30(22,28)29)16-24-26-27-25-16/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)
InChIKeyFEIKQQMUNRZBMF-UHFFFAOYSA-N
XLogP2.33
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118266335) is 3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Nc1ccc2cccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1.
What is the InChIKey of 3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FEIKQQMUNRZBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N7O2S/c18-17(19,20)11-6-5-9(10-3-1-2-8-4-7-12(21)23-14(8)10)13(15(11)30(22,28)29)16-24-26-27-25-16/h1-7H,(H2,21,23)(H2,22,28,29)(H,24,25,26,27).
What are the key properties of 3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 435.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118266335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).