(Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine

C13H18FNO2S — CID 146317802

IUPAC(Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine
SMILESCC(C)c1ccccc1S(=O)(=O)C/C(F)=C/CN
InChIInChI=1S/C13H18FNO2S/c1-10(2)12-5-3-4-6-13(12)18(16,17)9-11(14)7-8-15/h3-7,10H,8-9,15H2,1-2H3/b11-7-
InChIKeyFEAWLNBKLVBUCA-XFFZJAGNSA-N
MW271.36 g/mol
LogP2.40
Rot. Bonds5

About (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine

(Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine (PubChem CID 146317802) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine
PubChem CID146317802
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name(Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine
SMILESCC(C)c1ccccc1S(=O)(=O)C/C(F)=C/CN
InChIInChI=1S/C13H18FNO2S/c1-10(2)12-5-3-4-6-13(12)18(16,17)9-11(14)7-8-15/h3-7,10H,8-9,15H2,1-2H3/b11-7-
InChIKeyFEAWLNBKLVBUCA-XFFZJAGNSA-N
XLogP2.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine (CID 146317802) is (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine is CC(C)c1ccccc1S(=O)(=O)C/C(F)=C/CN.
What is the InChIKey of (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine?
The InChIKey is FEAWLNBKLVBUCA-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-10(2)12-5-3-4-6-13(12)18(16,17)9-11(14)7-8-15/h3-7,10H,8-9,15H2,1-2H3/b11-7-.
What are the key properties of (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine?
(Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-(2-propan-2-ylphenyl)sulfonylbut-2-en-1-amine is sourced from PubChem (CID 146317802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).