4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide

C16H17F2NO3S — CID 109411515

IUPAC4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1C(O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17F2NO3S/c1-11-9-13(18)5-8-15(11)16(20)10-19(2)23(21,22)14-6-3-12(17)4-7-14/h3-9,16,20H,10H2,1-2H3
InChIKeyCWFKCRMUTSMING-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.63
Rot. Bonds5

About 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide

4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide (PubChem CID 109411515) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
PubChem CID109411515
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1C(O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H17F2NO3S/c1-11-9-13(18)5-8-15(11)16(20)10-19(2)23(21,22)14-6-3-12(17)4-7-14/h3-9,16,20H,10H2,1-2H3
InChIKeyCWFKCRMUTSMING-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 109411520
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111565148
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
sodium (4-fluoro-2-methylphenyl)-hydroxymethanesulfonate
CID 103574292
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
CID 111564982
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
4-fluoro-N-(2-hydroxy-3-phenoxypropyl)-N-methylbenzenesulfonamide
CID 122132161
1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol
CID 111565172

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide (CID 109411515) is 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide is Cc1cc(F)ccc1C(O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide?
The InChIKey is CWFKCRMUTSMING-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-11-9-13(18)5-8-15(11)16(20)10-19(2)23(21,22)14-6-3-12(17)4-7-14/h3-9,16,20H,10H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide?
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 109411515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).