2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide

C12H12F5NO3S — CID 86770880

IUPAC2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CCOCC1)c1cc(F)ccc1F
InChIInChI=1S/C12H12F5NO3S/c13-8-1-2-9(14)10(7-8)22(19,20)18-11(12(15,16)17)3-5-21-6-4-11/h1-2,7,18H,3-6H2
InChIKeyURRHTOLAUJAVOD-UHFFFAOYSA-N
MW345.29 g/mol
LogP2.35
Rot. Bonds3

About 2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide

2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide (PubChem CID 86770880) has the molecular formula C12H12F5NO3S and a molecular weight of 345.29 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide
PubChem CID86770880
Molecular FormulaC12H12F5NO3S
Molecular Weight345.29 g/mol
Exact Mass345.05
IUPAC Name2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CCOCC1)c1cc(F)ccc1F
InChIInChI=1S/C12H12F5NO3S/c13-8-1-2-9(14)10(7-8)22(19,20)18-11(12(15,16)17)3-5-21-6-4-11/h1-2,7,18H,3-6H2
InChIKeyURRHTOLAUJAVOD-UHFFFAOYSA-N
XLogP2.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218443
N-[4-(bromomethyl)oxan-4-yl]-2-chloro-5-fluorobenzenesulfonamide
CID 106301301
4-[(2-bromo-4-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291981
1-[(2,5-difluorophenyl)sulfonylamino]cyclohexane-1-carbothioamide
CID 61124069
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
N-[4-(2,4-difluorophenyl)oxan-4-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 99589179
2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid
CID 146092673
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-fluoro-4-methylbenzenesulfonamide
CID 99589170
2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 114158366
N-(3,4-difluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)oxolan-3-yl]sulfamoyl]thiophene-3-carboxamide
CID 121295235
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
CID 115456954
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
CID 115456575

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide (CID 86770880) is 2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide is O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide?
The InChIKey is URRHTOLAUJAVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5NO3S/c13-8-1-2-9(14)10(7-8)22(19,20)18-11(12(15,16)17)3-5-21-6-4-11/h1-2,7,18H,3-6H2.
What are the key properties of 2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide?
2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide has a molecular weight of 345.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-(trifluoromethyl)oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 86770880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).