1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol

C12H17Cl2NO4S — CID 115476512

IUPAC1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO4S/c1-19-5-4-15-7-10(16)8-20(17,18)12-6-9(13)2-3-11(12)14/h2-3,6,10,15-16H,4-5,7-8H2,1H3
InChIKeyFJZCJXODTBJWHZ-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.36
Rot. Bonds8

About 1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol

1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 115476512) has the molecular formula C12H17Cl2NO4S and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
PubChem CID115476512
Molecular FormulaC12H17Cl2NO4S
Molecular Weight342.24 g/mol
Exact Mass341.03
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO4S/c1-19-5-4-15-7-10(16)8-20(17,18)12-6-9(13)2-3-11(12)14/h2-3,6,10,15-16H,4-5,7-8H2,1H3
InChIKeyFJZCJXODTBJWHZ-UHFFFAOYSA-N
XLogP1.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol
CID 115476465
1-(4-chloro-3-fluorophenyl)-3-(2-methoxyethylamino)propan-2-ol
CID 107889050
1-(4-chlorophenyl)sulfinyl-3-(2-methoxyethylamino)propan-2-ol
CID 113318003
1-(3,4-dichlorophenyl)sulfonyl-3-(propylamino)propan-2-ol
CID 115476449
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
1-(2-chlorophenyl)sulfonyl-3-methoxypropan-2-ol
CID 107508912
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
1-(3-chlorophenyl)sulfanyl-3-(2-methoxyethylamino)propan-2-ol
CID 113317875
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
1-(2-methoxyethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476755
1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol
CID 115476595

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol (CID 115476512) is 1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is FJZCJXODTBJWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO4S/c1-19-5-4-15-7-10(16)8-20(17,18)12-6-9(13)2-3-11(12)14/h2-3,6,10,15-16H,4-5,7-8H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol?
1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 342.24 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 115476512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).