(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol

C15H13Cl3O4S — CID 6976971

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
SMILESO=S(=O)(C[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3O4S/c16-10-1-4-13(5-2-10)23(20,21)9-11(19)8-22-12-3-6-14(17)15(18)7-12/h1-7,11,19H,8-9H2/t11-/m0/s1
InChIKeyGLHNQXZHGQMPEP-NSHDSACASA-N
MW395.69 g/mol
LogP3.86
Rot. Bonds6

About (2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol

(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol (PubChem CID 6976971) has the molecular formula C15H13Cl3O4S and a molecular weight of 395.69 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
PubChem CID6976971
Molecular FormulaC15H13Cl3O4S
Molecular Weight395.69 g/mol
Exact Mass393.96
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
SMILESO=S(=O)(C[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3O4S/c16-10-1-4-13(5-2-10)23(20,21)9-11(19)8-22-12-3-6-14(17)15(18)7-12/h1-7,11,19H,8-9H2/t11-/m0/s1
InChIKeyGLHNQXZHGQMPEP-NSHDSACASA-N
XLogP3.86
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.69
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
CID 6976973
2-(4-chlorophenyl)-7-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropoxy]chromen-4-one
CID 2740106
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
CID 1485345
3-(3,4-dichlorophenoxy)propane-1,2-diol
CID 78931944
(1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol
CID 7085860
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
CID 63488455
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 1485361
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
N-[2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl]acetamide
CID 60632295
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]acetamide
CID 60900938
1-(3-aminopropylamino)-3-(3,4-dichlorophenoxy)propan-2-ol
CID 62275385

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol (CID 6976971) is (2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol is O=S(=O)(C[C@@H](O)COc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol?
The InChIKey is GLHNQXZHGQMPEP-NSHDSACASA-N. The full InChI is InChI=1S/C15H13Cl3O4S/c16-10-1-4-13(5-2-10)23(20,21)9-11(19)8-22-12-3-6-14(17)15(18)7-12/h1-7,11,19H,8-9H2/t11-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol?
(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol has a molecular weight of 395.69 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 6976971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).