2-[3-(ethylamino)phenyl]sulfonylethanol

C10H15NO3S — CID 15461500

IUPAC2-[3-(ethylamino)phenyl]sulfonylethanol
SMILESCCNc1cccc(S(=O)(=O)CCO)c1
InChIInChI=1S/C10H15NO3S/c1-2-11-9-4-3-5-10(8-9)15(13,14)7-6-12/h3-5,8,11-12H,2,6-7H2,1H3
InChIKeyKRNJGMBSLSISNM-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.88
Rot. Bonds5

About 2-[3-(ethylamino)phenyl]sulfonylethanol

2-[3-(ethylamino)phenyl]sulfonylethanol (PubChem CID 15461500) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[3-(ethylamino)phenyl]sulfonylethanol.

Molecular Properties

Compound Name2-[3-(ethylamino)phenyl]sulfonylethanol
PubChem CID15461500
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-[3-(ethylamino)phenyl]sulfonylethanol
SMILESCCNc1cccc(S(=O)(=O)CCO)c1
InChIInChI=1S/C10H15NO3S/c1-2-11-9-4-3-5-10(8-9)15(13,14)7-6-12/h3-5,8,11-12H,2,6-7H2,1H3
InChIKeyKRNJGMBSLSISNM-UHFFFAOYSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)phenyl]sulfonylethanol?
The IUPAC name of 2-[3-(ethylamino)phenyl]sulfonylethanol (CID 15461500) is 2-[3-(ethylamino)phenyl]sulfonylethanol.
What is the SMILES notation for 2-[3-(ethylamino)phenyl]sulfonylethanol?
The canonical SMILES for 2-[3-(ethylamino)phenyl]sulfonylethanol is CCNc1cccc(S(=O)(=O)CCO)c1.
What is the InChIKey of 2-[3-(ethylamino)phenyl]sulfonylethanol?
The InChIKey is KRNJGMBSLSISNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-2-11-9-4-3-5-10(8-9)15(13,14)7-6-12/h3-5,8,11-12H,2,6-7H2,1H3.
What are the key properties of 2-[3-(ethylamino)phenyl]sulfonylethanol?
2-[3-(ethylamino)phenyl]sulfonylethanol has a molecular weight of 229.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)phenyl]sulfonylethanol is sourced from PubChem (CID 15461500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).