N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide

C17H16F3NO3S — CID 99589250

IUPACN-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc(F)cc2F)CCOCC1)c1cccc(F)c1
InChIInChI=1S/C17H16F3NO3S/c18-12-2-1-3-14(10-12)25(22,23)21-17(6-8-24-9-7-17)15-5-4-13(19)11-16(15)20/h1-5,10-11,21H,6-9H2
InChIKeyLIXZOMFYZHCVEX-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide

N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide (PubChem CID 99589250) has the molecular formula C17H16F3NO3S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide
PubChem CID99589250
Molecular FormulaC17H16F3NO3S
Molecular Weight371.38 g/mol
Exact Mass371.08
IUPAC NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc(F)cc2F)CCOCC1)c1cccc(F)c1
InChIInChI=1S/C17H16F3NO3S/c18-12-2-1-3-14(10-12)25(22,23)21-17(6-8-24-9-7-17)15-5-4-13(19)11-16(15)20/h1-5,10-11,21H,6-9H2
InChIKeyLIXZOMFYZHCVEX-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenyloxan-4-yl)methyl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 37557128
4-methyl-N-(1,1,1-trifluoro-3-hydroxy-2-phenylpropan-2-yl)benzenesulfonamide
CID 76006021
N-(4-fluorophenyl)-4-hydroxy-2-isopropyl-5-methyl benzene sulfonamide
CID 154926301
N-(4-(hex-5-en-1-yl)tetrahydro-2H-pyran-4-yl)-4-methylbenzenesulfonamide
CID 177217688
4-fluoro-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzene-1-sulfonamide
CID 27450316
2,6-difluoro-N-[(4-phenyloxan-4-yl)methyl]benzene-1-sulfonamide
CID 45561182
2-fluoro-N-(4-phenyloxan-4-yl)benzenesulfonamide
CID 53595627
N-[(2R,3R)-4-(cyanomethoxy)-3-fluoro-2-(2-fluorophenyl)butan-2-yl]-2-methylpropane-2-sulfinamide
CID 67467172
(R)-N-[(2R,3R)-4-(cyanomethoxy)-3-fluoro-2-(2-fluorophenyl)butan-2-yl]-2-methylpropane-2-sulfinamide
CID 67467173
N-[(3R)-1-(cyanomethoxy)-2,2-difluoro-3-(2-fluorophenyl)pentan-3-yl]-2-methylpropane-2-sulfinamide
CID 67468356
4-amino-4-(2-fluorophenyl)-N-methyloxane-3-sulfonamide
CID 70855280
N-[4-(2-fluorophenyl)oxan-4-yl]-2-methylpropane-2-sulfinamide
CID 122459132

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide (CID 99589250) is N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide is O=S(=O)(NC1(c2ccc(F)cc2F)CCOCC1)c1cccc(F)c1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide?
The InChIKey is LIXZOMFYZHCVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3S/c18-12-2-1-3-14(10-12)25(22,23)21-17(6-8-24-9-7-17)15-5-4-13(19)11-16(15)20/h1-5,10-11,21H,6-9H2.
What are the key properties of N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide?
N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide has a molecular weight of 371.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 99589250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).