2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide

C11H16FNO5S — CID 35320406

IUPAC2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C11H16FNO5S/c1-16-5-4-13-19(14,15)11-7-10(18-3)9(17-2)6-8(11)12/h6-7,13H,4-5H2,1-3H3
InChIKeyXISVMQKRMZBLBQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.77
Rot. Bonds7

About 2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 35320406) has the molecular formula C11H16FNO5S and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID35320406
Molecular FormulaC11H16FNO5S
Molecular Weight293.32 g/mol
Exact Mass293.07
IUPAC Name2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C11H16FNO5S/c1-16-5-4-13-19(14,15)11-7-10(18-3)9(17-2)6-8(11)12/h6-7,13H,4-5H2,1-3H3
InChIKeyXISVMQKRMZBLBQ-UHFFFAOYSA-N
XLogP0.77
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
2-fluoro-N-(2-imidazol-1-ylethyl)-4,5-dimethoxybenzenesulfonamide
CID 35309403
4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
CID 9160422
2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride
CID 120717697
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35327742
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide (CID 35320406) is 2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is XISVMQKRMZBLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO5S/c1-16-5-4-13-19(14,15)11-7-10(18-3)9(17-2)6-8(11)12/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 293.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 35320406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).