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

C11H15ClFNO3S — CID 146317810

IUPAC(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride
SMILESCOc1ccccc1S(=O)(=O)C/C(F)=C/CN.Cl
InChIInChI=1S/C11H14FNO3S.ClH/c1-16-10-4-2-3-5-11(10)17(14,15)8-9(12)6-7-13;/h2-6H,7-8,13H2,1H3;1H/b9-6-;
InChIKeyZLQODWPCOFEWKO-BORNJIKYSA-N
MW295.76 g/mol
LogP1.70
Rot. Bonds5

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

(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride (PubChem CID 146317810) has the molecular formula C11H15ClFNO3S and a molecular weight of 295.76 g/mol. Its IUPAC name is (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride
PubChem CID146317810
Molecular FormulaC11H15ClFNO3S
Molecular Weight295.76 g/mol
Exact Mass295.04
IUPAC Name(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride
SMILESCOc1ccccc1S(=O)(=O)C/C(F)=C/CN.Cl
InChIInChI=1S/C11H14FNO3S.ClH/c1-16-10-4-2-3-5-11(10)17(14,15)8-9(12)6-7-13;/h2-6H,7-8,13H2,1H3;1H/b9-6-;
InChIKeyZLQODWPCOFEWKO-BORNJIKYSA-N
XLogP1.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-ethylsulfonyl-2-methoxybenzene
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(Z)-3-fluoro-4-[(4-methyl-3-pyridinyl)sulfonyl]but-2-en-1-amine;dihydrochloride
CID 146317822
2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
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1-cyclopentyl-2-(2-methoxyphenyl)sulfonylethanone
CID 104756180
(Z)-2-fluoro-4-(2-methoxyphenyl)but-2-en-1-amine
CID 66982604
3-(2-methoxyphenyl)sulfonylpropanoic acid
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2-fluoro-2-(2-methoxyphenyl)sulfonylethanol
CID 115040041
2-(2-methoxyphenyl)sulfonyl-1-(5-methylthiophen-2-yl)ethanone
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CID 161258286

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride (CID 146317810) is (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride is COc1ccccc1S(=O)(=O)C/C(F)=C/CN.Cl.
What is the InChIKey of (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride?
The InChIKey is ZLQODWPCOFEWKO-BORNJIKYSA-N. The full InChI is InChI=1S/C11H14FNO3S.ClH/c1-16-10-4-2-3-5-11(10)17(14,15)8-9(12)6-7-13;/h2-6H,7-8,13H2,1H3;1H/b9-6-;.
What are the key properties of (Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride?
(Z)-3-fluoro-4-(2-methoxyphenyl)sulfonylbut-2-en-1-amine;hydrochloride has a molecular weight of 295.76 g/mol, XLogP of 1.70, 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;hydrochloride is sourced from PubChem (CID 146317810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).