4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide

C20H17N5O2S — CID 19919038

IUPAC4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2nc(-c3ccncc3)nc(NCc3ccccc3)c2c1
InChIInChI=1S/C20H17N5O2S/c21-28(26,27)16-6-7-18-17(12-16)20(23-13-14-4-2-1-3-5-14)25-19(24-18)15-8-10-22-11-9-15/h1-12H,13H2,(H2,21,26,27)(H,23,24,25)
InChIKeyGGDMJIZCXFEUHZ-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.95
Rot. Bonds5

About 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide

4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide (PubChem CID 19919038) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide.

Molecular Properties

Compound Name4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide
PubChem CID19919038
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2nc(-c3ccncc3)nc(NCc3ccccc3)c2c1
InChIInChI=1S/C20H17N5O2S/c21-28(26,27)16-6-7-18-17(12-16)20(23-13-14-4-2-1-3-5-14)25-19(24-18)15-8-10-22-11-9-15/h1-12H,13H2,(H2,21,26,27)(H,23,24,25)
InChIKeyGGDMJIZCXFEUHZ-UHFFFAOYSA-N
XLogP2.95
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide 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 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide?
The IUPAC name of 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide (CID 19919038) is 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide.
What is the SMILES notation for 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide?
The canonical SMILES for 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide is NS(=O)(=O)c1ccc2nc(-c3ccncc3)nc(NCc3ccccc3)c2c1.
What is the InChIKey of 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide?
The InChIKey is GGDMJIZCXFEUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c21-28(26,27)16-6-7-18-17(12-16)20(23-13-14-4-2-1-3-5-14)25-19(24-18)15-8-10-22-11-9-15/h1-12H,13H2,(H2,21,26,27)(H,23,24,25).
What are the key properties of 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide?
4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide has a molecular weight of 391.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-pyridin-4-ylquinazoline-6-sulfonamide is sourced from PubChem (CID 19919038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).