4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride

C19H24ClFN2O5S2 — CID 146317789

IUPAC4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(COc2ccc(S(=O)(=O)C/C(F)=C/CN)cc2)cc1.Cl
InChIInChI=1S/C19H23FN2O5S2.ClH/c1-22(2)29(25,26)19-7-3-15(4-8-19)13-27-17-5-9-18(10-6-17)28(23,24)14-16(20)11-12-21;/h3-11H,12-14,21H2,1-2H3;1H/b16-11-;
InChIKeyTXOHKPXJNPCPTK-MWVRIADDSA-N
MW479.00 g/mol
LogP2.52
Rot. Bonds9

About 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride

4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 146317789) has the molecular formula C19H24ClFN2O5S2 and a molecular weight of 479.00 g/mol. Its IUPAC name is 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
PubChem CID146317789
Molecular FormulaC19H24ClFN2O5S2
Molecular Weight479.00 g/mol
Exact Mass478.08
IUPAC Name4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(COc2ccc(S(=O)(=O)C/C(F)=C/CN)cc2)cc1.Cl
InChIInChI=1S/C19H23FN2O5S2.ClH/c1-22(2)29(25,26)19-7-3-15(4-8-19)13-27-17-5-9-18(10-6-17)28(23,24)14-16(20)11-12-21;/h3-11H,12-14,21H2,1-2H3;1H/b16-11-;
InChIKeyTXOHKPXJNPCPTK-MWVRIADDSA-N
XLogP2.52
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride 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

3-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-di(propan-2-yl)benzenesulfonamide
CID 175112483
4-[2-(4-amino-2-fluorobut-2-enyl)sulfonylphenoxy]-N,N-dimethylbenzenesulfonamide
CID 146317776
(Z)-3-fluoro-4-[4-(methylideneamino)phenyl]sulfonylbut-2-en-1-amine
CID 153398864
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 155556842
4-[[1-(4-amino-2-fluorobut-2-enyl)-3,5-dimethylpyrazol-4-yl]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 135318972
N-(3,5-dimethylphenyl)-4-[[4-(dimethylsulfamoyl)phenyl]methoxy]benzamide
CID 17308519
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
1-[(Z)-4-amino-2-fluorobut-2-enyl]-4-[[4-(dimethylsulfamoyl)phenyl]methyl]-5-methylpyrazole-3-carboxylic acid;hydrochloride
CID 135318433
1-[(Z)-4-amino-2-fluorobut-2-enyl]-4-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylpyrazole-5-carboxylic acid
CID 135318942
2-[4-(dimethylsulfamoyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 110674552
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
CID 39415083
(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride
CID 146317810

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride (CID 146317789) is 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride is CN(C)S(=O)(=O)c1ccc(COc2ccc(S(=O)(=O)C/C(F)=C/CN)cc2)cc1.Cl.
What is the InChIKey of 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is TXOHKPXJNPCPTK-MWVRIADDSA-N. The full InChI is InChI=1S/C19H23FN2O5S2.ClH/c1-22(2)29(25,26)19-7-3-15(4-8-19)13-27-17-5-9-18(10-6-17)28(23,24)14-16(20)11-12-21;/h3-11H,12-14,21H2,1-2H3;1H/b16-11-;.
What are the key properties of 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 479.00 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 146317789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).