4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide

C13H9ClF2N2O4S — CID 67122649

IUPAC4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(Oc2ccc(Cl)cn2)cc1F
InChIInChI=1S/C13H9ClF2N2O4S/c1-23(20,21)18-13(19)8-4-10(16)11(5-9(8)15)22-12-3-2-7(14)6-17-12/h2-6H,1H3,(H,18,19)
InChIKeyQBUXXWQJKHMZKP-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.49
Rot. Bonds4

About 4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide

4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide (PubChem CID 67122649) has the molecular formula C13H9ClF2N2O4S and a molecular weight of 362.74 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide
PubChem CID67122649
Molecular FormulaC13H9ClF2N2O4S
Molecular Weight362.74 g/mol
Exact Mass361.99
IUPAC Name4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(Oc2ccc(Cl)cn2)cc1F
InChIInChI=1S/C13H9ClF2N2O4S/c1-23(20,21)18-13(19)8-4-10(16)11(5-9(8)15)22-12-3-2-7(14)6-17-12/h2-6H,1H3,(H,18,19)
InChIKeyQBUXXWQJKHMZKP-UHFFFAOYSA-N
XLogP2.49
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide (CID 67122649) is 4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(F)c(Oc2ccc(Cl)cn2)cc1F.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide?
The InChIKey is QBUXXWQJKHMZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O4S/c1-23(20,21)18-13(19)8-4-10(16)11(5-9(8)15)22-12-3-2-7(14)6-17-12/h2-6H,1H3,(H,18,19).
What are the key properties of 4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide?
4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide has a molecular weight of 362.74 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)oxy]-2,5-difluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 67122649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).