4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide

C12H19FN2O3S — CID 62845055

IUPAC4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O3S/c1-15(9-10-18-2)8-7-14-19(16,17)12-5-3-11(13)4-6-12/h3-6,14H,7-10H2,1-2H3
InChIKeyQWNABJIZSLRXET-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.68
Rot. Bonds8

About 4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide

4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide (PubChem CID 62845055) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
PubChem CID62845055
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2O3S/c1-15(9-10-18-2)8-7-14-19(16,17)12-5-3-11(13)4-6-12/h3-6,14H,7-10H2,1-2H3
InChIKeyQWNABJIZSLRXET-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
CID 62843991
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(2-methoxyethyl)acetamide
CID 113053214
2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62850287
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62850113
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106056406
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62842954
5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 64607272
N-[2-[2-methoxyethyl(methyl)amino]ethyl]methanesulfonamide
CID 63714040
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide (CID 62845055) is 4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide is COCCN(C)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The InChIKey is QWNABJIZSLRXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-15(9-10-18-2)8-7-14-19(16,17)12-5-3-11(13)4-6-12/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62845055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).