4-ethoxy-2-(1-phenylethylsulfonyl)aniline

C16H19NO3S — CID 81175040

IUPAC4-ethoxy-2-(1-phenylethylsulfonyl)aniline
SMILESCCOc1ccc(N)c(S(=O)(=O)C(C)c2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-3-20-14-9-10-15(17)16(11-14)21(18,19)12(2)13-7-5-4-6-8-13/h4-12H,3,17H2,1-2H3
InChIKeyZFFRTBXJXLVWDX-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.20
Rot. Bonds5

About 4-ethoxy-2-(1-phenylethylsulfonyl)aniline

4-ethoxy-2-(1-phenylethylsulfonyl)aniline (PubChem CID 81175040) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-ethoxy-2-(1-phenylethylsulfonyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-(1-phenylethylsulfonyl)aniline
PubChem CID81175040
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-ethoxy-2-(1-phenylethylsulfonyl)aniline
SMILESCCOc1ccc(N)c(S(=O)(=O)C(C)c2ccccc2)c1
InChIInChI=1S/C16H19NO3S/c1-3-20-14-9-10-15(17)16(11-14)21(18,19)12(2)13-7-5-4-6-8-13/h4-12H,3,17H2,1-2H3
InChIKeyZFFRTBXJXLVWDX-UHFFFAOYSA-N
XLogP3.20
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.20
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

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4-ethoxy-2-(3-methylbutylsulfonyl)aniline
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2-benzhydryl-4-ethoxyaniline
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4-ethoxy-2-(ethoxymethylsulfonyl)aniline
CID 81174679
4-ethoxy-2-(2-fluoroethylsulfonyl)aniline
CID 81176417
2-butan-2-ylsulfonyl-4-methoxyaniline
CID 81207556
2-(2-amino-5-ethoxyphenyl)sulfonylacetamide
CID 81176156
4-ethoxy-2-(2-pyridin-2-ylethylsulfonyl)aniline
CID 81174676
4-ethoxy-2-[2-(trifluoromethoxy)ethylsulfonyl]aniline
CID 81174673
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175778
2-cycloheptylsulfonyl-4-ethoxyaniline
CID 82935829
6-(2-amino-5-ethoxyphenyl)sulfonylhexan-1-ol
CID 107707390

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(1-phenylethylsulfonyl)aniline?
The IUPAC name of 4-ethoxy-2-(1-phenylethylsulfonyl)aniline (CID 81175040) is 4-ethoxy-2-(1-phenylethylsulfonyl)aniline.
What is the SMILES notation for 4-ethoxy-2-(1-phenylethylsulfonyl)aniline?
The canonical SMILES for 4-ethoxy-2-(1-phenylethylsulfonyl)aniline is CCOc1ccc(N)c(S(=O)(=O)C(C)c2ccccc2)c1.
What is the InChIKey of 4-ethoxy-2-(1-phenylethylsulfonyl)aniline?
The InChIKey is ZFFRTBXJXLVWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-20-14-9-10-15(17)16(11-14)21(18,19)12(2)13-7-5-4-6-8-13/h4-12H,3,17H2,1-2H3.
What are the key properties of 4-ethoxy-2-(1-phenylethylsulfonyl)aniline?
4-ethoxy-2-(1-phenylethylsulfonyl)aniline has a molecular weight of 305.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(1-phenylethylsulfonyl)aniline is sourced from PubChem (CID 81175040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).