N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide

C15H22FNO3S — CID 86839214

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C15H22FNO3S/c1-2-10-21(18,19)17-12-15(6-8-20-9-7-15)13-4-3-5-14(16)11-13/h3-5,11,17H,2,6-10,12H2,1H3
InChIKeyDEHQKLWDXPIHGW-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.20
Rot. Bonds6

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide (PubChem CID 86839214) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
PubChem CID86839214
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C15H22FNO3S/c1-2-10-21(18,19)17-12-15(6-8-20-9-7-15)13-4-3-5-14(16)11-13/h3-5,11,17H,2,6-10,12H2,1H3
InChIKeyDEHQKLWDXPIHGW-UHFFFAOYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]methanesulfonamide
CID 86839207
4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine
CID 75431186
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-methyl-4-nitrobenzenesulfonamide
CID 86959754
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
5-chloro-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-nitrobenzenesulfonamide
CID 86879570
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]butane-1-sulfonamide
CID 110440592
1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111225762
N-ethyl-6-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]-N-phenylpyridine-3-sulfonamide
CID 60570272
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 60570237
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 60570236
N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 50959923
(2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 95125347

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide (CID 86839214) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide?
The InChIKey is DEHQKLWDXPIHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-2-10-21(18,19)17-12-15(6-8-20-9-7-15)13-4-3-5-14(16)11-13/h3-5,11,17H,2,6-10,12H2,1H3.
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide has a molecular weight of 315.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 86839214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).