4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide

C13H9ClF2N2O4S — CID 167867104

IUPAC4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)F)c1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C13H9ClF2N2O4S/c14-9-3-6-11(17-7-9)22-10-4-1-8(2-5-10)12(19)18-23(20,21)13(15)16/h1-7,13H,(H,18,19)
InChIKeyHUWHMOBGHMQKBV-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.81
Rot. Bonds5

About 4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide

4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide (PubChem CID 167867104) has the molecular formula C13H9ClF2N2O4S and a molecular weight of 362.74 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide
PubChem CID167867104
Molecular FormulaC13H9ClF2N2O4S
Molecular Weight362.74 g/mol
Exact Mass361.99
IUPAC Name4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)F)c1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C13H9ClF2N2O4S/c14-9-3-6-11(17-7-9)22-10-4-1-8(2-5-10)12(19)18-23(20,21)13(15)16/h1-7,13H,(H,18,19)
InChIKeyHUWHMOBGHMQKBV-UHFFFAOYSA-N
XLogP2.81
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.81
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]-N-(difluoromethylsulfonyl)benzamide?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide (CID 167867104) is 4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide is O=C(NS(=O)(=O)C(F)F)c1ccc(Oc2ccc(Cl)cn2)cc1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide?
The InChIKey is HUWHMOBGHMQKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O4S/c14-9-3-6-11(17-7-9)22-10-4-1-8(2-5-10)12(19)18-23(20,21)13(15)16/h1-7,13H,(H,18,19).
What are the key properties of 4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide?
4-[(5-chloro-2-pyridinyl)oxy]-N-(difluoromethylsulfonyl)benzamide has a molecular weight of 362.74 g/mol, XLogP of 2.81, 5 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]-N-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 167867104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).