2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide

C15H24FNO3S — CID 65005106

IUPAC2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide
SMILESCCCC(CCC)(COc1cccc(F)c1)CS(N)(=O)=O
InChIInChI=1S/C15H24FNO3S/c1-3-8-15(9-4-2,12-21(17,18)19)11-20-14-7-5-6-13(16)10-14/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyJJPFSDVRQAMQKZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.08
Rot. Bonds9

About 2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide

2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide (PubChem CID 65005106) has the molecular formula C15H24FNO3S and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide
PubChem CID65005106
Molecular FormulaC15H24FNO3S
Molecular Weight317.43 g/mol
Exact Mass317.15
IUPAC Name2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide
SMILESCCCC(CCC)(COc1cccc(F)c1)CS(N)(=O)=O
InChIInChI=1S/C15H24FNO3S/c1-3-8-15(9-4-2,12-21(17,18)19)11-20-14-7-5-6-13(16)10-14/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyJJPFSDVRQAMQKZ-UHFFFAOYSA-N
XLogP3.08
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenoxy)methyl]-2-propylpentane-1-sulfonamide
CID 65005010
2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide
CID 107171159
1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene
CID 112686090
2-[(3-fluorophenoxy)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 65015281
3-(3-fluorophenoxy)-2,2-dimethylpropanamide
CID 82078068
2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003642
3-(3-bromophenoxy)-2,2-dimethylpropane-1-sulfonamide
CID 64999626
3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79626955
1-[2-(bromomethyl)-2-propylpentoxy]-3-methoxybenzene
CID 65005885
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262538
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide (CID 65005106) is 2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide is CCCC(CCC)(COc1cccc(F)c1)CS(N)(=O)=O.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide?
The InChIKey is JJPFSDVRQAMQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3S/c1-3-8-15(9-4-2,12-21(17,18)19)11-20-14-7-5-6-13(16)10-14/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide?
2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide has a molecular weight of 317.43 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide is sourced from PubChem (CID 65005106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).