2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline

C17H19NO4S — CID 54578535

IUPAC2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2ccccc2OC)cc1N
InChIInChI=1S/C17H19NO4S/c1-21-16-6-4-3-5-14(16)9-10-23(19,20)12-13-7-8-17(22-2)15(18)11-13/h3-11H,12,18H2,1-2H3/b10-9+
InChIKeySCEFDCVKSAJBHL-MDZDMXLPSA-N
MW333.41 g/mol
LogP2.87
Rot. Bonds6

About 2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline

2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline (PubChem CID 54578535) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline
PubChem CID54578535
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2ccccc2OC)cc1N
InChIInChI=1S/C17H19NO4S/c1-21-16-6-4-3-5-14(16)9-10-23(19,20)12-13-7-8-17(22-2)15(18)11-13/h3-11H,12,18H2,1-2H3/b10-9+
InChIKeySCEFDCVKSAJBHL-MDZDMXLPSA-N
XLogP2.87
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methoxy-5-(((2,4,6-trimethoxystyryl)sulfonyl)methyl)aniline
CID 11486204
N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]acetamide
CID 10025975
(E)-N-(2-Methoxyphenyl)-2-phenylethenesulfonamide
CID 786405
(E)-2,4,6-Trimethoxystyryl 4-Methoxy-3-Nitrobenzyl sulfone
CID 11502726
2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfanylmethyl]aniline
CID 11996140
2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylmethyl]aniline
CID 11996431
4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 893150
N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
CID 1293958
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 2554278
(E)-N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)ethenesulfonamide
CID 9967624
2-methoxy-5-[[(E)-2-(2,4,6-trifluorophenyl)ethenyl]sulfonylmethyl]aniline
CID 54576581
5-[[(E)-2-(2,4-dimethoxyphenyl)ethenyl]sulfonylmethyl]-2-methoxyaniline
CID 54578764

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline?
The IUPAC name of 2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline (CID 54578535) is 2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline.
What is the SMILES notation for 2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline?
The canonical SMILES for 2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline is COc1ccc(CS(=O)(=O)/C=C/c2ccccc2OC)cc1N.
What is the InChIKey of 2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline?
The InChIKey is SCEFDCVKSAJBHL-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-21-16-6-4-3-5-14(16)9-10-23(19,20)12-13-7-8-17(22-2)15(18)11-13/h3-11H,12,18H2,1-2H3/b10-9+.
What are the key properties of 2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline?
2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline has a molecular weight of 333.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylmethyl]aniline is sourced from PubChem (CID 54578535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).