(Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine

C10H12FNO2S — CID 68770907

IUPAC(Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine
SMILESNC/C=C(\F)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12FNO2S/c11-9(6-7-12)8-15(13,14)10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6-
InChIKeyHTUIHUIRTWMKFB-TWGQIWQCSA-N
MW229.28 g/mol
LogP1.27
Rot. Bonds4

About (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine

(Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine (PubChem CID 68770907) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine
PubChem CID68770907
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name(Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine
SMILESNC/C=C(\F)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12FNO2S/c11-9(6-7-12)8-15(13,14)10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6-
InChIKeyHTUIHUIRTWMKFB-TWGQIWQCSA-N
XLogP1.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine?
The IUPAC name of (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine (CID 68770907) is (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine.
What is the SMILES notation for (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine?
The canonical SMILES for (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine is NC/C=C(\F)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine?
The InChIKey is HTUIHUIRTWMKFB-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-9(6-7-12)8-15(13,14)10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6-.
What are the key properties of (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine?
(Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine has a molecular weight of 229.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(benzenesulfonyl)-3-fluorobut-2-en-1-amine is sourced from PubChem (CID 68770907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).