(E)-2-(dibenzylamino)ethenesulfonyl fluoride

C16H16FNO2S — CID 15311173

IUPAC(E)-2-(dibenzylamino)ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16FNO2S/c17-21(19,20)12-11-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
InChIKeyZDTGIFWIGLGBAW-VAWYXSNFSA-N
MW305.37 g/mol
LogP3.46
Rot. Bonds6

About (E)-2-(dibenzylamino)ethenesulfonyl fluoride

(E)-2-(dibenzylamino)ethenesulfonyl fluoride (PubChem CID 15311173) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (E)-2-(dibenzylamino)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(dibenzylamino)ethenesulfonyl fluoride
PubChem CID15311173
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(E)-2-(dibenzylamino)ethenesulfonyl fluoride
SMILESO=S(=O)(F)/C=C/N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H16FNO2S/c17-21(19,20)12-11-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
InChIKeyZDTGIFWIGLGBAW-VAWYXSNFSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(dibenzylamino)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(dibenzylamino)ethenesulfonyl fluoride (CID 15311173) is (E)-2-(dibenzylamino)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(dibenzylamino)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(dibenzylamino)ethenesulfonyl fluoride is O=S(=O)(F)/C=C/N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-2-(dibenzylamino)ethenesulfonyl fluoride?
The InChIKey is ZDTGIFWIGLGBAW-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-21(19,20)12-11-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+.
What are the key properties of (E)-2-(dibenzylamino)ethenesulfonyl fluoride?
(E)-2-(dibenzylamino)ethenesulfonyl fluoride has a molecular weight of 305.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(dibenzylamino)ethenesulfonyl fluoride is sourced from PubChem (CID 15311173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).