(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide

C16H17NO4S — CID 1487582

IUPAC(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
SMILESCOc1ccc(/C=C/S(=O)(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C16H17NO4S/c1-20-15-9-8-13(12-16(15)21-2)10-11-22(18,19)17-14-6-4-3-5-7-14/h3-12,17H,1-2H3/b11-10+
InChIKeyCYEHRSHBEIDVII-ZHACJKMWSA-N
MW319.38 g/mol
LogP3.12
Rot. Bonds6

About (E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide

(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide (PubChem CID 1487582) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is (E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
PubChem CID1487582
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
SMILESCOc1ccc(/C=C/S(=O)(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C16H17NO4S/c1-20-15-9-8-13(12-16(15)21-2)10-11-22(18,19)17-14-6-4-3-5-7-14/h3-12,17H,1-2H3/b11-10+
InChIKeyCYEHRSHBEIDVII-ZHACJKMWSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide
CID 88998699
(E)-N-(4-methoxyphenyl)-2-phenylethenesulfonamide
CID 767425
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
(E)-2-(4-methoxy-3-nitrophenyl)-N-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]sulfonylethenesulfonamide
CID 57480489
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide
CID 70038153
methyl 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]prop-2-enoate
CID 67019599
(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide
CID 8518747
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene
CID 149234765
ethyl (E)-2-(3,4-dimethoxyphenyl)ethenesulfonate
CID 162339894
(E)-2-(4-nitrophenyl)-N-phenylethenesulfonamide
CID 6263676
(E)-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745323

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide?
The IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide (CID 1487582) is (E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide.
What is the SMILES notation for (E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide?
The canonical SMILES for (E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide is COc1ccc(/C=C/S(=O)(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of (E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide?
The InChIKey is CYEHRSHBEIDVII-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-20-15-9-8-13(12-16(15)21-2)10-11-22(18,19)17-14-6-4-3-5-7-14/h3-12,17H,1-2H3/b11-10+.
What are the key properties of (E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide?
(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide is sourced from PubChem (CID 1487582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).