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

C15H13Cl3O4S — CID 6976973

IUPAC(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
SMILESO=S(=O)(C[C@@H](O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3O4S/c16-10-1-4-13(5-2-10)23(20,21)9-12(19)8-22-15-6-3-11(17)7-14(15)18/h1-7,12,19H,8-9H2/t12-/m0/s1
InChIKeyHLHMUDOGIJQKFC-LBPRGKRZSA-N
MW395.69 g/mol
LogP3.86
Rot. Bonds6

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

(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol (PubChem CID 6976973) has the molecular formula C15H13Cl3O4S and a molecular weight of 395.69 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
PubChem CID6976973
Molecular FormulaC15H13Cl3O4S
Molecular Weight395.69 g/mol
Exact Mass393.96
IUPAC Name(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
SMILESO=S(=O)(C[C@@H](O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl3O4S/c16-10-1-4-13(5-2-10)23(20,21)9-12(19)8-22-15-6-3-11(17)7-14(15)18/h1-7,12,19H,8-9H2/t12-/m0/s1
InChIKeyHLHMUDOGIJQKFC-LBPRGKRZSA-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-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
CID 1485345
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 1485361
(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
CID 6976971
1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol
CID 23847581
1-(2,4-dichlorophenoxy)-3-pentoxypropan-2-ol
CID 71384988
1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol
CID 5156098
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
(2S)-1-(2,4-dichlorophenoxy)-3-piperazine-1,4-diium-1-ylpropan-2-ol
CID 8000714
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol (CID 6976973) is (2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol is O=S(=O)(C[C@@H](O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol?
The InChIKey is HLHMUDOGIJQKFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13Cl3O4S/c16-10-1-4-13(5-2-10)23(20,21)9-12(19)8-22-15-6-3-11(17)7-14(15)18/h1-7,12,19H,8-9H2/t12-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol?
(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-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-(2,4-dichlorophenoxy)propan-2-ol is sourced from PubChem (CID 6976973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).