(E)-N,N-diethyl-2-phenylethenesulfonamide

C12H17NO2S — CID 5369397

IUPAC(E)-N,N-diethyl-2-phenylethenesulfonamide
SMILESCCN(CC)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-3-13(4-2)16(14,15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+
InChIKeyKGFXXXSTLUWXPA-ZHACJKMWSA-N
MW239.34 g/mol
LogP2.33
Rot. Bonds5

About (E)-N,N-diethyl-2-phenylethenesulfonamide

(E)-N,N-diethyl-2-phenylethenesulfonamide (PubChem CID 5369397) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (E)-N,N-diethyl-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-2-phenylethenesulfonamide
PubChem CID5369397
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(E)-N,N-diethyl-2-phenylethenesulfonamide
SMILESCCN(CC)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-3-13(4-2)16(14,15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+
InChIKeyKGFXXXSTLUWXPA-ZHACJKMWSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-2-phenylethenesulfonamide?
The IUPAC name of (E)-N,N-diethyl-2-phenylethenesulfonamide (CID 5369397) is (E)-N,N-diethyl-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N,N-diethyl-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N,N-diethyl-2-phenylethenesulfonamide is CCN(CC)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N,N-diethyl-2-phenylethenesulfonamide?
The InChIKey is KGFXXXSTLUWXPA-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-13(4-2)16(14,15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+.
What are the key properties of (E)-N,N-diethyl-2-phenylethenesulfonamide?
(E)-N,N-diethyl-2-phenylethenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2-phenylethenesulfonamide is sourced from PubChem (CID 5369397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).