1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol

C11H15Cl2NO3S — CID 54935215

IUPAC1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol
SMILESCS(=O)(=O)CCNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-18(16,17)5-4-14-7-11(15)9-6-8(12)2-3-10(9)13/h2-3,6,11,14-15H,4-5,7H2,1H3
InChIKeyBIRCFSJRMURGKH-UHFFFAOYSA-N
MW312.22 g/mol
LogP1.66
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol

1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol (PubChem CID 54935215) has the molecular formula C11H15Cl2NO3S and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol
PubChem CID54935215
Molecular FormulaC11H15Cl2NO3S
Molecular Weight312.22 g/mol
Exact Mass311.01
IUPAC Name1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol
SMILESCS(=O)(=O)CCNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2NO3S/c1-18(16,17)5-4-14-7-11(15)9-6-8(12)2-3-10(9)13/h2-3,6,11,14-15H,4-5,7H2,1H3
InChIKeyBIRCFSJRMURGKH-UHFFFAOYSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Clorprenaline Hydrochloride
CID 21784
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]propane-1-sulfonamide
CID 72003032
1-(2,5-Dichlorophenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 55174172
1-(2,5-Dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 60899604
1-(2,5-Dichloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 84044477
1-(3,6-Dichloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 84700572
1-(2,5-Dichloro-4-fluorophenyl)-2-(methylamino)ethanol
CID 84700576
3-[[2-(2,5-Dichlorophenyl)-2-hydroxyethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 105645048
3-[[2-(2,5-Dichlorophenyl)-2-hydroxyethyl]amino]-1,1-difluoropropan-2-ol
CID 105645807
1-(2,5-Dichlorophenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 105935805
3-[[2-(2,5-Dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol
CID 106176958
1-(2,5-Dichlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
CID 106292151

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol (CID 54935215) is 1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol is CS(=O)(=O)CCNCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol?
The InChIKey is BIRCFSJRMURGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S/c1-18(16,17)5-4-14-7-11(15)9-6-8(12)2-3-10(9)13/h2-3,6,11,14-15H,4-5,7H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol?
1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol has a molecular weight of 312.22 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2-methylsulfonylethylamino)ethanol is sourced from PubChem (CID 54935215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).