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

C11H14FNO3S — CID 146317811

IUPAC(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine
SMILESCOc1ccccc1S(=O)(=O)C/C(F)=C/CN
InChIInChI=1S/C11H14FNO3S/c1-16-10-4-2-3-5-11(10)17(14,15)8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6-
InChIKeyJXXLSBFNTPWCMS-TWGQIWQCSA-N
MW259.30 g/mol
LogP1.28
Rot. Bonds5

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

(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine (PubChem CID 146317811) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine
PubChem CID146317811
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine
SMILESCOc1ccccc1S(=O)(=O)C/C(F)=C/CN
InChIInChI=1S/C11H14FNO3S/c1-16-10-4-2-3-5-11(10)17(14,15)8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6-
InChIKeyJXXLSBFNTPWCMS-TWGQIWQCSA-N
XLogP1.28
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-fluoro-4-(4-methylsulfanylphenoxy)but-2-en-1-amine
CID 42624286
N-[2-(tert-butylthio)ethyl]-4-methoxybenzenesulfonamide
CID 2271711
(E)-3-fluoro-2-((4-((3-methoxy-2-(methoxymethyl)propyl)sulfonyl) phenoxy)methyl)prop-2-en-1-amine
CID 156340044
(E)-3-fluoro-2-((4-((methoxymethyl)sulfonyl)phenoxy) methyl)prop-2-en-1-amine
CID 156362714
Imino(2-methoxyphenyl)methyl-lambda6-sulfanone
CID 86018121
1-(2-Aminoethoxy)-4-methanesulfonylbenzene
CID 43806902
5-fluoro-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 1583576
2-[(4-Methoxyphenyl)sulfonyl]ethanamine
CID 16644604
Ethylamine, 2-(o-anisylthio)-N,N-diethyl-, hydrochloride
CID 45443
Ethylamine, 2-(4-methoxyphenylsulfonyl)-N-methyl-, hydrochloride
CID 49337
2-(4-Methoxybenzene-1-sulfonyl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1)
CID 49341
Butylamine, N-(2-(4-methoxyphenylsulfonyl)ethyl)-, hydrochloride
CID 3050835

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine (CID 146317811) is (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine is COc1ccccc1S(=O)(=O)C/C(F)=C/CN.
What is the InChIKey of (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine?
The InChIKey is JXXLSBFNTPWCMS-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-16-10-4-2-3-5-11(10)17(14,15)8-9(12)6-7-13/h2-6H,7-8,13H2,1H3/b9-6-.
What are the key properties of (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine?
(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine has a molecular weight of 259.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine is sourced from PubChem (CID 146317811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).