2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide

C16H11F2N3O4S — CID 66667368

IUPAC2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(Oc2ncc3ccccc3n2)cc1F
InChIInChI=1S/C16H11F2N3O4S/c1-26(23,24)21-15(22)10-6-12(18)14(7-11(10)17)25-16-19-8-9-4-2-3-5-13(9)20-16/h2-8H,1H3,(H,21,22)
InChIKeyRDZJQQROCTUHKK-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.39
Rot. Bonds4

About 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide

2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide (PubChem CID 66667368) has the molecular formula C16H11F2N3O4S and a molecular weight of 379.34 g/mol. Its IUPAC name is 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide
PubChem CID66667368
Molecular FormulaC16H11F2N3O4S
Molecular Weight379.34 g/mol
Exact Mass379.04
IUPAC Name2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(Oc2ncc3ccccc3n2)cc1F
InChIInChI=1S/C16H11F2N3O4S/c1-26(23,24)21-15(22)10-6-12(18)14(7-11(10)17)25-16-19-8-9-4-2-3-5-13(9)20-16/h2-8H,1H3,(H,21,22)
InChIKeyRDZJQQROCTUHKK-UHFFFAOYSA-N
XLogP2.39
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide 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 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide?
The IUPAC name of 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide (CID 66667368) is 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide.
What is the SMILES notation for 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide?
The canonical SMILES for 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide is CS(=O)(=O)NC(=O)c1cc(F)c(Oc2ncc3ccccc3n2)cc1F.
What is the InChIKey of 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide?
The InChIKey is RDZJQQROCTUHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O4S/c1-26(23,24)21-15(22)10-6-12(18)14(7-11(10)17)25-16-19-8-9-4-2-3-5-13(9)20-16/h2-8H,1H3,(H,21,22).
What are the key properties of 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide?
2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide has a molecular weight of 379.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide is sourced from PubChem (CID 66667368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).