4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride

C15H21ClFN5O3S — CID 155560404

IUPAC4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(OCc2cn(C/C(F)=C/CN)nn2)cc1.Cl
InChIInChI=1S/C15H20FN5O3S.ClH/c1-20(2)25(22,23)15-5-3-14(4-6-15)24-11-13-10-21(19-18-13)9-12(16)7-8-17;/h3-7,10H,8-9,11,17H2,1-2H3;1H/b12-7-;
InChIKeyJDEAGHMESKXNSD-OZLKFZLXSA-N
MW405.88 g/mol
LogP1.34
Rot. Bonds8

About 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride

4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 155560404) has the molecular formula C15H21ClFN5O3S and a molecular weight of 405.88 g/mol. Its IUPAC name is 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride
PubChem CID155560404
Molecular FormulaC15H21ClFN5O3S
Molecular Weight405.88 g/mol
Exact Mass405.10
IUPAC Name4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(OCc2cn(C/C(F)=C/CN)nn2)cc1.Cl
InChIInChI=1S/C15H20FN5O3S.ClH/c1-20(2)25(22,23)15-5-3-14(4-6-15)24-11-13-10-21(19-18-13)9-12(16)7-8-17;/h3-7,10H,8-9,11,17H2,1-2H3;1H/b12-7-;
InChIKeyJDEAGHMESKXNSD-OZLKFZLXSA-N
XLogP1.34
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-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

4-[(1-Phenyltriazol-4-yl)methoxy]benzenesulfonamide
CID 129009672
(2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 73293037
4-[[1-(4-Fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide
CID 134136523
(Z)-3-fluoro-4-[4-(phenoxymethyl)triazol-1-yl]but-2-en-1-amine;hydrochloride
CID 155515216
(Z)-3-fluoro-4-[4-[(3-methylsulfonylphenoxy)methyl]triazol-1-yl]but-2-en-1-amine;hydrochloride
CID 155516293
(Z)-3-fluoro-4-[4-[(4-methylsulfonylphenoxy)methyl]triazol-1-yl]but-2-en-1-amine;hydrochloride
CID 155522519
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 155545992
(Z)-3-fluoro-4-[4-[(2-methylsulfonylphenoxy)methyl]triazol-1-yl]but-2-en-1-amine;hydrochloride
CID 155533774
N,N-dimethyl-4-[2-(2-pyrazol-1-ylethylamino)ethoxy]benzenesulfonamide
CID 56802965
4-(phenoxymethyl)-1-(1-((3,3,3-trifluoropropyl)sulfonyl)azetidin-3-yl)-1H-1,2,3-triazole
CID 91629979
4-[4-[(4-Fluorophenoxy)methyl]triazol-1-yl]benzenesulfonamide
CID 177660245
1-(1-(butylsulfonyl)azetidin-3-yl)-4-(phenoxymethyl)-1H-1,2,3-triazole
CID 87052281

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride (CID 155560404) is 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride is CN(C)S(=O)(=O)c1ccc(OCc2cn(C/C(F)=C/CN)nn2)cc1.Cl.
What is the InChIKey of 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is JDEAGHMESKXNSD-OZLKFZLXSA-N. The full InChI is InChI=1S/C15H20FN5O3S.ClH/c1-20(2)25(22,23)15-5-3-14(4-6-15)24-11-13-10-21(19-18-13)9-12(16)7-8-17;/h3-7,10H,8-9,11,17H2,1-2H3;1H/b12-7-;.
What are the key properties of 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride?
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 405.88 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 155560404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).