4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline

C16H17NO3S — CID 24754393

IUPAC4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C16H17NO3S/c1-20-16-8-4-14(5-9-16)12-21(18,19)11-10-13-2-6-15(17)7-3-13/h2-11H,12,17H2,1H3/b11-10+
InChIKeyYWYZOUWPISUYIR-ZHACJKMWSA-N
MW303.38 g/mol
LogP2.86
Rot. Bonds5

About 4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline

4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline (PubChem CID 24754393) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline
PubChem CID24754393
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C16H17NO3S/c1-20-16-8-4-14(5-9-16)12-21(18,19)11-10-13-2-6-15(17)7-3-13/h2-11H,12,17H2,1H3/b11-10+
InChIKeyYWYZOUWPISUYIR-ZHACJKMWSA-N
XLogP2.86
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
4-Amino-4'-methoxystilbene
CID 5376491
3-[(4-methoxybenzyl)sulfanyl]-1lambda~6~,4-benzothiazine-1,1(4H)-dione
CID 1490963
Ethenesulfonamide, 2-phenyl-N-(2-methoxyphenyl)-
CID 786405
N-[4'-(trifluoromethoxy)-4-biphenylyl]methanesulfonamide
CID 11348100
4-[2-(4-Methoxyphenyl)ethynyl]aniline
CID 44422933
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 847860
2-methoxy-5-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 934797
2-methoxy-5-methyl-N-[3-(methylthio)phenyl]benzenesulfonamide
CID 974558
N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide
CID 1293958
5-fluoro-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 2234557

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline?
The IUPAC name of 4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline (CID 24754393) is 4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline is COc1ccc(CS(=O)(=O)/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline?
The InChIKey is YWYZOUWPISUYIR-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-20-16-8-4-14(5-9-16)12-21(18,19)11-10-13-2-6-15(17)7-3-13/h2-11H,12,17H2,1H3/b11-10+.
What are the key properties of 4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline?
4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline has a molecular weight of 303.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]aniline is sourced from PubChem (CID 24754393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).