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

C17H18FNO3S — CID 146317796

IUPAC(Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine
SMILESNC/C=C(\F)CS(=O)(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H18FNO3S/c18-15(10-11-19)13-23(20,21)17-9-5-4-8-16(17)22-12-14-6-2-1-3-7-14/h1-10H,11-13,19H2/b15-10-
InChIKeyIOIASFHJLHGSJK-GDNBJRDFSA-N
MW335.40 g/mol
LogP2.85
Rot. Bonds7

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

(Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine (PubChem CID 146317796) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is (Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine
PubChem CID146317796
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name(Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine
SMILESNC/C=C(\F)CS(=O)(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H18FNO3S/c18-15(10-11-19)13-23(20,21)17-9-5-4-8-16(17)22-12-14-6-2-1-3-7-14/h1-10H,11-13,19H2/b15-10-
InChIKeyIOIASFHJLHGSJK-GDNBJRDFSA-N
XLogP2.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine (CID 146317796) is (Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine is NC/C=C(\F)CS(=O)(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of (Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine?
The InChIKey is IOIASFHJLHGSJK-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-15(10-11-19)13-23(20,21)17-9-5-4-8-16(17)22-12-14-6-2-1-3-7-14/h1-10H,11-13,19H2/b15-10-.
What are the key properties of (Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine?
(Z)-3-fluoro-4-(2-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine has a molecular weight of 335.40 g/mol, XLogP of 2.85, 7 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-phenylmethoxyphenyl)sulfonylbut-2-en-1-amine is sourced from PubChem (CID 146317796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).