3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C16H15F3N8O2S — CID 134823722

IUPAC3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ncnc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3C3NNNN3)ccc12
InChIInChI=1S/C16H15F3N8O2S/c17-16(18,19)10-4-3-8(7-1-2-9-11(5-7)22-6-23-14(9)20)12(13(10)30(21,28)29)15-24-26-27-25-15/h1-6,15,24-27H,(H2,20,22,23)(H2,21,28,29)
InChIKeyBAUWQFXNDILXHO-UHFFFAOYSA-N
MW440.41 g/mol
LogP0.66
Rot. Bonds3

About 3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823722) has the molecular formula C16H15F3N8O2S and a molecular weight of 440.41 g/mol. Its IUPAC name is 3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823722
Molecular FormulaC16H15F3N8O2S
Molecular Weight440.41 g/mol
Exact Mass440.10
IUPAC Name3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ncnc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3C3NNNN3)ccc12
InChIInChI=1S/C16H15F3N8O2S/c17-16(18,19)10-4-3-8(7-1-2-9-11(5-7)22-6-23-14(9)20)12(13(10)30(21,28)29)15-24-26-27-25-15/h1-6,15,24-27H,(H2,20,22,23)(H2,21,28,29)
InChIKeyBAUWQFXNDILXHO-UHFFFAOYSA-N
XLogP0.66
TPSA160.08 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.41
LogP ≤ 50.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Related Compounds

3-(2-amino-8-quinolyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266335
3-(Quinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256898
3-(2-aminoquinazolin-8-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266337
3-(2-aminoquinazolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266350
3-(4-amino-6-quinolyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266473
3-(4-Amino-7-quinolyl)-2-(1-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266589
5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl)quinoline 1-oxide
CID 134823641
3-(2-aminoquinolin-6-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823718
3-(2,4-diaminoquinazolin-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823723
3-(1-aminoisoquinolin-6-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823724
3''-(2-aminopyrimidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)biphenyl-3-sulfonamdie
CID 134823726
4''-{[(pyrimidin-4-ylmethyl)amino]methyl}-2-(1H-tetrazol-5-yl)biphenyl-3-sulfonamide
CID 134823599

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823722) is 3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Nc1ncnc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3C3NNNN3)ccc12.
What is the InChIKey of 3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BAUWQFXNDILXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N8O2S/c17-16(18,19)10-4-3-8(7-1-2-9-11(5-7)22-6-23-14(9)20)12(13(10)30(21,28)29)15-24-26-27-25-15/h1-6,15,24-27H,(H2,20,22,23)(H2,21,28,29).
What are the key properties of 3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 440.41 g/mol, XLogP of 0.66, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminoquinazolin-7-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).