6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine

C17H13N5O2S — CID 123865228

IUPAC6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine
SMILESNc1ncc2cc(-c3ccccc3S(=O)(=O)n3ccnc3)ccc2n1
InChIInChI=1S/C17H13N5O2S/c18-17-20-10-13-9-12(5-6-15(13)21-17)14-3-1-2-4-16(14)25(23,24)22-8-7-19-11-22/h1-11H,(H2,18,20,21)
InChIKeyCDAYUZXGECUISL-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.31
Rot. Bonds3

About 6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine

6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine (PubChem CID 123865228) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine
PubChem CID123865228
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine
SMILESNc1ncc2cc(-c3ccccc3S(=O)(=O)n3ccnc3)ccc2n1
InChIInChI=1S/C17H13N5O2S/c18-17-20-10-13-9-12(5-6-15(13)21-17)14-3-1-2-4-16(14)25(23,24)22-8-7-19-11-22/h1-11H,(H2,18,20,21)
InChIKeyCDAYUZXGECUISL-UHFFFAOYSA-N
XLogP2.31
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine?
The IUPAC name of 6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine (CID 123865228) is 6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine.
What is the SMILES notation for 6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine?
The canonical SMILES for 6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine is Nc1ncc2cc(-c3ccccc3S(=O)(=O)n3ccnc3)ccc2n1.
What is the InChIKey of 6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine?
The InChIKey is CDAYUZXGECUISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c18-17-20-10-13-9-12(5-6-15(13)21-17)14-3-1-2-4-16(14)25(23,24)22-8-7-19-11-22/h1-11H,(H2,18,20,21).
What are the key properties of 6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine?
6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine has a molecular weight of 351.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazol-1-ylsulfonylphenyl)quinazolin-2-amine is sourced from PubChem (CID 123865228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).