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

C17H20FNO4S — CID 110291014

IUPAC4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide
SMILESCOc1cccc(C(O)CN(C)S(=O)(=O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C17H20FNO4S/c1-12-9-15(7-8-16(12)18)24(21,22)19(2)11-17(20)13-5-4-6-14(10-13)23-3/h4-10,17,20H,11H2,1-3H3
InChIKeyQUVTWOHTSGBSQV-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.50
Rot. Bonds6

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

4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide (PubChem CID 110291014) has the molecular formula C17H20FNO4S and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide
PubChem CID110291014
Molecular FormulaC17H20FNO4S
Molecular Weight353.42 g/mol
Exact Mass353.11
IUPAC Name4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide
SMILESCOc1cccc(C(O)CN(C)S(=O)(=O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C17H20FNO4S/c1-12-9-15(7-8-16(12)18)24(21,22)19(2)11-17(20)13-5-4-6-14(10-13)23-3/h4-10,17,20H,11H2,1-3H3
InChIKeyQUVTWOHTSGBSQV-UHFFFAOYSA-N
XLogP2.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide
CID 110291277
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589
N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
CID 81258385
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 109411520
4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291150
N-(2-hydroxy-2-phenylethyl)-4-iodo-N-methylbenzenesulfonamide
CID 4982665
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133808
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
2-[(2,6-dimethylphenyl)methylsulfonyl]-1-(3-methoxyphenyl)ethanol
CID 111437345
2,3,4-trifluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-nitrobenzamide
CID 110313641

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide (CID 110291014) is 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide is COc1cccc(C(O)CN(C)S(=O)(=O)c2ccc(F)c(C)c2)c1.
What is the InChIKey of 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide?
The InChIKey is QUVTWOHTSGBSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S/c1-12-9-15(7-8-16(12)18)24(21,22)19(2)11-17(20)13-5-4-6-14(10-13)23-3/h4-10,17,20H,11H2,1-3H3.
What are the key properties of 4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide?
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.50, 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,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 110291014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).