4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide

C13H20FNO4S — CID 106150803

IUPAC4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C13H20FNO4S/c1-9-6-11(14)7-10(2)13(9)20(17,18)15-5-4-12(16)8-19-3/h6-7,12,15-16H,4-5,8H2,1-3H3
InChIKeySHWHBRMNLMPXQM-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.12
Rot. Bonds7

About 4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide

4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 106150803) has the molecular formula C13H20FNO4S and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide
PubChem CID106150803
Molecular FormulaC13H20FNO4S
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide
SMILESCOCC(O)CCNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C13H20FNO4S/c1-9-6-11(14)7-10(2)13(9)20(17,18)15-5-4-12(16)8-19-3/h6-7,12,15-16H,4-5,8H2,1-3H3
InChIKeySHWHBRMNLMPXQM-UHFFFAOYSA-N
XLogP1.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-2,4,6-trimethylbenzenesulfonamide
CID 103876049
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)-3,6-dimethylbenzenesulfonamide
CID 103875890
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
5-amino-3-fluoro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzenesulfonamide
CID 106242638
3-[(3-hydroxy-4-methoxybutyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 106244525
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328351
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
2,5-dichloro-N-(3-hydroxy-4-methoxybutyl)thiophene-3-sulfonamide
CID 113343427
N-(3-hydroxy-4-methoxybutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 103875971
N-(3-hydroxy-4-methoxybutyl)methanesulfonamide
CID 103875867

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide (CID 106150803) is 4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide is COCC(O)CCNS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of 4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is SHWHBRMNLMPXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4S/c1-9-6-11(14)7-10(2)13(9)20(17,18)15-5-4-12(16)8-19-3/h6-7,12,15-16H,4-5,8H2,1-3H3.
What are the key properties of 4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide?
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxy-4-methoxybutyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 106150803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).