(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol

C18H23ClN2O6S — CID 2409096

IUPAC(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
SMILESO=S(=O)(c1ccc(OC[C@H](O)CNCc2ccco2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H23ClN2O6S/c19-17-10-16(28(23,24)21-5-8-25-9-6-21)3-4-18(17)27-13-14(22)11-20-12-15-2-1-7-26-15/h1-4,7,10,14,20,22H,5-6,8-9,11-13H2/t14-/m1/s1
InChIKeyWGZVLJQLIGVFHQ-CQSZACIVSA-N
MW430.91 g/mol
LogP1.48
Rot. Bonds9

About (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol

(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol (PubChem CID 2409096) has the molecular formula C18H23ClN2O6S and a molecular weight of 430.91 g/mol. Its IUPAC name is (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
PubChem CID2409096
Molecular FormulaC18H23ClN2O6S
Molecular Weight430.91 g/mol
Exact Mass430.10
IUPAC Name(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
SMILESO=S(=O)(c1ccc(OC[C@H](O)CNCc2ccco2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C18H23ClN2O6S/c19-17-10-16(28(23,24)21-5-8-25-9-6-21)3-4-18(17)27-13-14(22)11-20-12-15-2-1-7-26-15/h1-4,7,10,14,20,22H,5-6,8-9,11-13H2/t14-/m1/s1
InChIKeyWGZVLJQLIGVFHQ-CQSZACIVSA-N
XLogP1.48
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol with MolForge

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Related Compounds

(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(cyclopropylamino)propan-2-ol
CID 7440472
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(2S)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 98387923
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 98387924
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
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CID 110906839
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 7111818
(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 41300610
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593406
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol (CID 2409096) is (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol is O=S(=O)(c1ccc(OC[C@H](O)CNCc2ccco2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
The InChIKey is WGZVLJQLIGVFHQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN2O6S/c19-17-10-16(28(23,24)21-5-8-25-9-6-21)3-4-18(17)27-13-14(22)11-20-12-15-2-1-7-26-15/h1-4,7,10,14,20,22H,5-6,8-9,11-13H2/t14-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol?
(2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol has a molecular weight of 430.91 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 2409096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).