1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol

C13H20ClNO4S — CID 64643980

IUPAC1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
SMILESCC(CS(C)(=O)=O)NCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO4S/c1-10(9-20(2,17)18)15-7-12(16)8-19-13-5-3-4-11(14)6-13/h3-6,10,12,15-16H,7-9H2,1-2H3
InChIKeyXOUFFOJEQJRPDI-UHFFFAOYSA-N
MW321.83 g/mol
LogP1.10
Rot. Bonds8

About 1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol

1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol (PubChem CID 64643980) has the molecular formula C13H20ClNO4S and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
PubChem CID64643980
Molecular FormulaC13H20ClNO4S
Molecular Weight321.83 g/mol
Exact Mass321.08
IUPAC Name1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
SMILESCC(CS(C)(=O)=O)NCC(O)COc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO4S/c1-10(9-20(2,17)18)15-7-12(16)8-19-13-5-3-4-11(14)6-13/h3-6,10,12,15-16H,7-9H2,1-2H3
InChIKeyXOUFFOJEQJRPDI-UHFFFAOYSA-N
XLogP1.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642037
1-(1-methylsulfonylpropan-2-ylamino)-3-phenoxypropan-2-ol
CID 64642817
1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914300
1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81394090
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide
CID 103108426
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
1-(3-chlorophenoxy)-3-(3,5-difluoroanilino)propan-2-ol
CID 60899743
1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585707
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
disodium;5-[(2R)-2-[[(2R)-3-(3-chlorophenoxy)-2-hydroxypropyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
CID 15340705

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol (CID 64643980) is 1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol is CC(CS(C)(=O)=O)NCC(O)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
The InChIKey is XOUFFOJEQJRPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO4S/c1-10(9-20(2,17)18)15-7-12(16)8-19-13-5-3-4-11(14)6-13/h3-6,10,12,15-16H,7-9H2,1-2H3.
What are the key properties of 1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol?
1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol has a molecular weight of 321.83 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 64643980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).