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

C11H12F3NO3S — CID 155585083

IUPAC(Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine
SMILESCOc1cccc(S(=O)(=O)C(F)(F)/C(F)=C/CN)c1
InChIInChI=1S/C11H12F3NO3S/c1-18-8-3-2-4-9(7-8)19(16,17)11(13,14)10(12)5-6-15/h2-5,7H,6,15H2,1H3/b10-5-
InChIKeyFQTZPARUJIAWAP-YHYXMXQVSA-N
MW295.28 g/mol
LogP1.87
Rot. Bonds5

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

(Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine (PubChem CID 155585083) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is (Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine
PubChem CID155585083
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name(Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine
SMILESCOc1cccc(S(=O)(=O)C(F)(F)/C(F)=C/CN)c1
InChIInChI=1S/C11H12F3NO3S/c1-18-8-3-2-4-9(7-8)19(16,17)11(13,14)10(12)5-6-15/h2-5,7H,6,15H2,1H3/b10-5-
InChIKeyFQTZPARUJIAWAP-YHYXMXQVSA-N
XLogP1.87
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Z)-4-bromo-3,4,4-trifluorobut-2-enyl]isoindole-1,3-dione;3-methoxybenzenethiol;2-[(Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-enyl]isoindole-1,3-dione
CID 167581777
(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine
CID 115038096
3-methoxybenzenesulfonamide
CID 14763060
[(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium
CID 155585088
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
but-2-ene;3-methoxybenzenesulfonic acid
CID 175366995
2-(3-methoxyphenyl)sulfonyl-2-prop-2-ynylpent-4-ynoic acid
CID 21267978
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81260224
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine?
The IUPAC name of (Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine (CID 155585083) is (Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine.
What is the SMILES notation for (Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine?
The canonical SMILES for (Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine is COc1cccc(S(=O)(=O)C(F)(F)/C(F)=C/CN)c1.
What is the InChIKey of (Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine?
The InChIKey is FQTZPARUJIAWAP-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-18-8-3-2-4-9(7-8)19(16,17)11(13,14)10(12)5-6-15/h2-5,7H,6,15H2,1H3/b10-5-.
What are the key properties of (Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine?
(Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine has a molecular weight of 295.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine is sourced from PubChem (CID 155585083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).