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

C11H14FNO2S — CID 146317752

IUPAC(Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine
SMILESCc1cccc(S(=O)(=O)C/C(F)=C/CN)c1
InChIInChI=1S/C11H14FNO2S/c1-9-3-2-4-11(7-9)16(14,15)8-10(12)5-6-13/h2-5,7H,6,8,13H2,1H3/b10-5-
InChIKeyRJOOCYPRLRMGSO-YHYXMXQVSA-N
MW243.30 g/mol
LogP1.58
Rot. Bonds4

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

(Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine (PubChem CID 146317752) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is (Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine
PubChem CID146317752
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name(Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine
SMILESCc1cccc(S(=O)(=O)C/C(F)=C/CN)c1
InChIInChI=1S/C11H14FNO2S/c1-9-3-2-4-11(7-9)16(14,15)8-10(12)5-6-13/h2-5,7H,6,8,13H2,1H3/b10-5-
InChIKeyRJOOCYPRLRMGSO-YHYXMXQVSA-N
XLogP1.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine (CID 146317752) is (Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine is Cc1cccc(S(=O)(=O)C/C(F)=C/CN)c1.
What is the InChIKey of (Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine?
The InChIKey is RJOOCYPRLRMGSO-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-9-3-2-4-11(7-9)16(14,15)8-10(12)5-6-13/h2-5,7H,6,8,13H2,1H3/b10-5-.
What are the key properties of (Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine?
(Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine has a molecular weight of 243.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-(3-methylphenyl)sulfonylbut-2-en-1-amine is sourced from PubChem (CID 146317752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).