4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide

C16H18FNO4S — CID 110291005

IUPAC4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(C(O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO4S/c1-18(23(20,21)15-8-6-13(17)7-9-15)11-16(19)12-4-3-5-14(10-12)22-2/h3-10,16,19H,11H2,1-2H3
InChIKeyKUTGJCAOQHRMMU-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.19
Rot. Bonds6

About 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide

4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide (PubChem CID 110291005) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
PubChem CID110291005
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC Name4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(C(O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO4S/c1-18(23(20,21)15-8-6-13(17)7-9-15)11-16(19)12-4-3-5-14(10-12)22-2/h3-10,16,19H,11H2,1-2H3
InChIKeyKUTGJCAOQHRMMU-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide
CID 110291014
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 109411520
4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
CID 122132161
4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291150
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 110629573
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133808
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
CID 109411515
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384
N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
CID 81258385
4-fluoro-N-[1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46022138
4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93207219

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide (CID 110291005) is 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide is COc1cccc(C(O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is KUTGJCAOQHRMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-18(23(20,21)15-8-6-13(17)7-9-15)11-16(19)12-4-3-5-14(10-12)22-2/h3-10,16,19H,11H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide?
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.19, 6 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-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 110291005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).