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

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Related Compounds

2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
CID 66666992
4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66767003
4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667432
4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66766760
5-methyl-2-quinazolin-2-yloxybenzoic acid
CID 114789657
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
CID 58042409
2-(2-quinazolin-2-yloxyphenoxy)propanoic acid
CID 70466221
4-(1-adamantylmethoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 91809327
5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 71612521
4-[6-[(1R)-1-(1,3-benzothiazol-2-yl)ethoxy]-5-chloro-3-pyridinyl]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 122422539
4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667669
2-(3-bromo-4-fluorophenoxy)quinazoline
CID 114788785

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).