N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide

C13H15F2NO4S — CID 31972791

IUPACN-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1
InChIInChI=1S/C13H15F2NO4S/c14-13(15)21(18,19)11-3-1-10(2-4-11)16-12(17)9-5-7-20-8-6-9/h1-4,9,13H,5-8H2,(H,16,17)
InChIKeyNHDGJMQGXOKCPN-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.05
Rot. Bonds4

About N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide

N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide (PubChem CID 31972791) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
PubChem CID31972791
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1
InChIInChI=1S/C13H15F2NO4S/c14-13(15)21(18,19)11-3-1-10(2-4-11)16-12(17)9-5-7-20-8-6-9/h1-4,9,13H,5-8H2,(H,16,17)
InChIKeyNHDGJMQGXOKCPN-UHFFFAOYSA-N
XLogP2.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982469
N-[4-(propylsulfamoyl)phenyl]oxane-4-carboxamide
CID 134062227
4-(difluoromethylsulfonyl)-N-(oxan-4-ylmethyl)aniline
CID 62350308
(2R)-N-[4-(difluoromethylsulfonyl)phenyl]pyrrolidine-2-carboxamide
CID 104900564
N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide
CID 110778740
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]oxane-4-carboxamide
CID 55376695
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
CID 9394899
N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
CID 30753597

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide (CID 31972791) is N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide?
The InChIKey is NHDGJMQGXOKCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4S/c14-13(15)21(18,19)11-3-1-10(2-4-11)16-12(17)9-5-7-20-8-6-9/h1-4,9,13H,5-8H2,(H,16,17).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide?
N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 31972791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).