4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide

C20H25FN2O5S2 — CID 146317806

IUPAC4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(COc2ccccc2S(=O)(=O)C/C(F)=C/CN)cc1
InChIInChI=1S/C20H25FN2O5S2/c1-15(2)23-30(26,27)18-9-7-16(8-10-18)13-28-19-5-3-4-6-20(19)29(24,25)14-17(21)11-12-22/h3-11,15,23H,12-14,22H2,1-2H3/b17-11-
InChIKeyZPNNACVZKHFFFO-BOPFTXTBSA-N
MW456.56 g/mol
LogP2.54
Rot. Bonds10

About 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide

4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 146317806) has the molecular formula C20H25FN2O5S2 and a molecular weight of 456.56 g/mol. Its IUPAC name is 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID146317806
Molecular FormulaC20H25FN2O5S2
Molecular Weight456.56 g/mol
Exact Mass456.12
IUPAC Name4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(COc2ccccc2S(=O)(=O)C/C(F)=C/CN)cc1
InChIInChI=1S/C20H25FN2O5S2/c1-15(2)23-30(26,27)18-9-7-16(8-10-18)13-28-19-5-3-4-6-20(19)29(24,25)14-17(21)11-12-22/h3-11,15,23H,12-14,22H2,1-2H3/b17-11-
InChIKeyZPNNACVZKHFFFO-BOPFTXTBSA-N
XLogP2.54
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide 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

N-[2-(2-methylphenoxy)ethyl]-4-(methylthio)benzenesulfonamide
CID 2195327
(E)-3-fluoro-2-((4-((((1r,4r)-4-methoxycyclohexyl)methyl)sulfonyl) phenoxy)methyl)prop-2-en-1-amine
CID 156362785
4-(2-(3-(4-Fluorophenoxy)propylsulfonamido)ethyl)benzenesulfonamide
CID 16884394
(R)-2-(5-fluoro-2-methoxyphenylsulfonylamino)-1-[p-(methylthio)phenyl]-1-ethanol
CID 97416953
N-{2-[(4-fluorobenzyl)sulfanyl]-2-methylpropyl}-4-methoxybenzenesulfonamide
CID 1487512
(Z)-4-((2-((4-amino-2-fluorobut-2-en-1-yl)sulfonyl)phenoxy)methyl)-N,N-dimethylbenzenesulfonamide
CID 146317700
(Z)-3-(2-(4-amino-2-fluorobut-2-enylsulfonyl)phenoxy)-N,N-dimethylbenzenesulfonamide
CID 146317704
(Z)-4-(2-((4-amino-2-fluorobut-2-en-1-yl)sulfonyl)phenoxy)-N,N-dimethylbenzenesulfonamide
CID 146317774
(Z)-4-((2-((4-amino-2-fluorobut-2-en-1-yl)sulfonyl)phenoxy)methyl)-N,N-diisopropylbenzenesulfonamide
CID 146317780
(Z)-4-((4-((4-amino-2-fluorobut-2-en-1-yl)sulfonyl)phenoxy)methyl)-N,N-dimethylbenzenesulfonamide
CID 146317790
(Z)-4-((2-(benzyloxy)phenyl)sulfonyl)-3-fluorobut-2-en-1-amine
CID 146317796
(Z)-4-((3-((4-amino-2-fluorobut-2-en-1-yl)sulfonyl)phenoxy)methyl)-N,N-dimethylbenzenesulfonamide
CID 146317798

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide (CID 146317806) is 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(COc2ccccc2S(=O)(=O)C/C(F)=C/CN)cc1.
What is the InChIKey of 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZPNNACVZKHFFFO-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H25FN2O5S2/c1-15(2)23-30(26,27)18-9-7-16(8-10-18)13-28-19-5-3-4-6-20(19)29(24,25)14-17(21)11-12-22/h3-11,15,23H,12-14,22H2,1-2H3/b17-11-.
What are the key properties of 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide?
4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 456.56 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(Z)-4-amino-2-fluorobut-2-enyl]sulfonylphenoxy]methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 146317806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).