(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide

C15H16ClNO2S2 — CID 9301914

IUPAC(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H16ClNO2S2/c1-2-17(12-14-8-9-15(16)20-14)21(18,19)11-10-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3/b11-10+
InChIKeyWEGNRTDCVAGCPT-ZHACJKMWSA-N
MW341.89 g/mol
LogP4.22
Rot. Bonds6

About (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide

(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide (PubChem CID 9301914) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.89 g/mol. Its IUPAC name is (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide
PubChem CID9301914
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.89 g/mol
Exact Mass341.03
IUPAC Name(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H16ClNO2S2/c1-2-17(12-14-8-9-15(16)20-14)21(18,19)11-10-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3/b11-10+
InChIKeyWEGNRTDCVAGCPT-ZHACJKMWSA-N
XLogP4.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide (CID 9301914) is (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide is CCN(Cc1ccc(Cl)s1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide?
The InChIKey is WEGNRTDCVAGCPT-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c1-2-17(12-14-8-9-15(16)20-14)21(18,19)11-10-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3/b11-10+.
What are the key properties of (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide?
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide has a molecular weight of 341.89 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide is sourced from PubChem (CID 9301914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).