4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide

C14H22FNO3S — CID 106169951

IUPAC4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H22FNO3S/c1-5-14(4,6-7-17)16-20(18,19)13-10(2)8-12(15)9-11(13)3/h8-9,16-17H,5-7H2,1-4H3
InChIKeyWAEXPPGVKSFXQL-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.27
Rot. Bonds6

About 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide

4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide (PubChem CID 106169951) has the molecular formula C14H22FNO3S and a molecular weight of 303.40 g/mol. Its IUPAC name is 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide
PubChem CID106169951
Molecular FormulaC14H22FNO3S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Name4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H22FNO3S/c1-5-14(4,6-7-17)16-20(18,19)13-10(2)8-12(15)9-11(13)3/h8-9,16-17H,5-7H2,1-4H3
InChIKeyWAEXPPGVKSFXQL-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 2836113
N-(2,2-difluoro-3-hydroxypropyl)-2-fluoro-6-methylbenzenesulfonamide
CID 136532536
N-tert-butyl-4-fluoro-2-(hydroxymethyl)benzenesulfonamide
CID 16656053
2,4,6-trimethyl-N-(2,2,2-trifluoro-1-hydroxymethylethyl)benzenesulfonamide
CID 57474035
N-tert-butyl-2-(2-fluoro-3-hydroxypropyl)benzenesulfonamide
CID 67868222
N-tert-butyl-4-fluoro-2-(2-hydroxyethyl)benzenesulfonamide
CID 70259785
N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 90164889
N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 90164907
N-(4-hydroxy-2-methylbutan-2-yl)-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 117714378
N-(1-hydroxy-2-methylpropan-2-yl)-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 117714402
N-(4-hydroxy-2-methylbutan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide
CID 144457811
ethane;N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfinamide
CID 144567527

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide (CID 106169951) is 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide is CCC(C)(CCO)NS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is WAEXPPGVKSFXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3S/c1-5-14(4,6-7-17)16-20(18,19)13-10(2)8-12(15)9-11(13)3/h8-9,16-17H,5-7H2,1-4H3.
What are the key properties of 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide?
4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 303.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 106169951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).