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

C16H11F3N8O2S — CID 118266337

IUPAC3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ncc2cccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1
InChIInChI=1S/C16H11F3N8O2S/c17-16(18,19)10-5-4-8(9-3-1-2-7-6-22-15(20)23-12(7)9)11(13(10)30(21,28)29)14-24-26-27-25-14/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27)
InChIKeyJWVLPFWXMOLIRD-UHFFFAOYSA-N
MW436.38 g/mol
LogP1.73
Rot. Bonds3

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

3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118266337) has the molecular formula C16H11F3N8O2S and a molecular weight of 436.38 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118266337
Molecular FormulaC16H11F3N8O2S
Molecular Weight436.38 g/mol
Exact Mass436.07
IUPAC Name3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ncc2cccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1
InChIInChI=1S/C16H11F3N8O2S/c17-16(18,19)10-5-4-8(9-3-1-2-7-6-22-15(20)23-12(7)9)11(13(10)30(21,28)29)14-24-26-27-25-14/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27)
InChIKeyJWVLPFWXMOLIRD-UHFFFAOYSA-N
XLogP1.73
TPSA166.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118266337) is 3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Nc1ncc2cccc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1.
What is the InChIKey of 3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JWVLPFWXMOLIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N8O2S/c17-16(18,19)10-5-4-8(9-3-1-2-7-6-22-15(20)23-12(7)9)11(13(10)30(21,28)29)14-24-26-27-25-14/h1-6H,(H2,20,22,23)(H2,21,28,29)(H,24,25,26,27).
What are the key properties of 3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 436.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118266337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).