4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide

C16H18FNO4S — CID 122132161

IUPAC4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
SMILESCN(CC(O)COc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO4S/c1-18(23(20,21)16-9-7-13(17)8-10-16)11-14(19)12-22-15-5-3-2-4-6-15/h2-10,14,19H,11-12H2,1H3
InChIKeyVCRHDSAFXRVSSD-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.89
Rot. Bonds7

About 4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide

4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide (PubChem CID 122132161) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
PubChem CID122132161
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
SMILESCN(CC(O)COc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO4S/c1-18(23(20,21)16-9-7-13(17)8-10-16)11-14(19)12-22-15-5-3-2-4-6-15/h2-10,14,19H,11-12H2,1H3
InChIKeyVCRHDSAFXRVSSD-UHFFFAOYSA-N
XLogP1.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide
CID 41244864
N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylphenoxy)propyl]-4-methylbenzenesulfonamide
CID 71945528
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 35433928
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54941944
(2S)-5-(benzenesulfonyl)-1-(4-fluorophenoxy)hexan-2-ol
CID 59048736
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
N-[(2S)-2-hydroxyoctyl]-N-[(2S)-2-hydroxy-3-phenoxypropyl]-4-methylbenzenesulfonamide
CID 101366737
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
N-[(2R)-2-hydroxy-3-phenoxypropyl]-2-oxo-N-propan-2-yl-1,3-dihydrobenzimidazole-5-sulfonamide
CID 124948706

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide (CID 122132161) is 4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide is CN(CC(O)COc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is VCRHDSAFXRVSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-18(23(20,21)16-9-7-13(17)8-10-16)11-14(19)12-22-15-5-3-2-4-6-15/h2-10,14,19H,11-12H2,1H3.
What are the key properties of 4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide?
4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 122132161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).