(E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide

C17H17NO5S — CID 88998699

IUPAC(E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide
SMILESCOc1ccc(/C=C/S(=O)(=O)Nc2ccccc2C=O)cc1OC
InChIInChI=1S/C17H17NO5S/c1-22-16-8-7-13(11-17(16)23-2)9-10-24(20,21)18-15-6-4-3-5-14(15)12-19/h3-12,18H,1-2H3/b10-9+
InChIKeyBFLWCTGMAJTQFN-MDZDMXLPSA-N
MW347.39 g/mol
LogP2.93
Rot. Bonds7

About (E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide

(E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide (PubChem CID 88998699) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is (E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide
PubChem CID88998699
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Name(E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide
SMILESCOc1ccc(/C=C/S(=O)(=O)Nc2ccccc2C=O)cc1OC
InChIInChI=1S/C17H17NO5S/c1-22-16-8-7-13(11-17(16)23-2)9-10-24(20,21)18-15-6-4-3-5-14(15)12-19/h3-12,18H,1-2H3/b10-9+
InChIKeyBFLWCTGMAJTQFN-MDZDMXLPSA-N
XLogP2.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
CID 1487582
(E)-N-(2-formylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 89064888
ethyl (E)-2-(3,4-dimethoxyphenyl)ethenesulfonate
CID 162339894
(E)-3-(3-but-2-ynoxy-4-methoxyphenyl)-N-(2-formylphenyl)prop-2-enamide
CID 89224606
(E)-3-(3-butoxy-4-methoxyphenyl)-N-(2-formylphenyl)prop-2-enamide
CID 89064875
2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline
CID 71418980
4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine
CID 75953930
2-(3,4-dimethoxyphenyl)-N-methylethenamine
CID 174355717
2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462
1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene
CID 149234765
(2E,4E)-5-(3,4-dimethoxyphenyl)penta-2,4-dienal
CID 12514233
(4-formyl-2-methoxyphenyl) methanesulfonate
CID 3650004

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide?
The IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide (CID 88998699) is (E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide is COc1ccc(/C=C/S(=O)(=O)Nc2ccccc2C=O)cc1OC.
What is the InChIKey of (E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide?
The InChIKey is BFLWCTGMAJTQFN-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-22-16-8-7-13(11-17(16)23-2)9-10-24(20,21)18-15-6-4-3-5-14(15)12-19/h3-12,18H,1-2H3/b10-9+.
What are the key properties of (E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide?
(E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide has a molecular weight of 347.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide is sourced from PubChem (CID 88998699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).