(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol

C15H13Cl2FO4S — CID 1485345

IUPAC(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
SMILESO=S(=O)(C[C@@H](O)COc1ccc(F)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2FO4S/c16-10-1-4-13(5-2-10)23(20,21)9-12(19)8-22-15-6-3-11(18)7-14(15)17/h1-7,12,19H,8-9H2/t12-/m0/s1
InChIKeyDXZBUWJXCHOEKJ-LBPRGKRZSA-N
MW379.24 g/mol
LogP3.35
Rot. Bonds6

About (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol

(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol (PubChem CID 1485345) has the molecular formula C15H13Cl2FO4S and a molecular weight of 379.24 g/mol. Its IUPAC name is (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
PubChem CID1485345
Molecular FormulaC15H13Cl2FO4S
Molecular Weight379.24 g/mol
Exact Mass377.99
IUPAC Name(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
SMILESO=S(=O)(C[C@@H](O)COc1ccc(F)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2FO4S/c16-10-1-4-13(5-2-10)23(20,21)9-12(19)8-22-15-6-3-11(18)7-14(15)17/h1-7,12,19H,8-9H2/t12-/m0/s1
InChIKeyDXZBUWJXCHOEKJ-LBPRGKRZSA-N
XLogP3.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 1485361
(2S)-1-(4-chlorophenyl)sulfonyl-3-(2,4-dichlorophenoxy)propan-2-ol
CID 6976973
1-(2-chloro-4-fluorophenoxy)-3-(2-methoxyphenyl)sulfonylpropan-2-ol
CID 5156098
(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
CID 6976971
1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 71943765
(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 97085392
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol
CID 23847581
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 64717111
1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898363
2-chloro-1-[(4-chlorophenoxy)methoxy]-4-fluorobenzene
CID 56627522

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol?
The IUPAC name of (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol (CID 1485345) is (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol?
The canonical SMILES for (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol is O=S(=O)(C[C@@H](O)COc1ccc(F)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol?
The InChIKey is DXZBUWJXCHOEKJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13Cl2FO4S/c16-10-1-4-13(5-2-10)23(20,21)9-12(19)8-22-15-6-3-11(18)7-14(15)17/h1-7,12,19H,8-9H2/t12-/m0/s1.
What are the key properties of (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol?
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol has a molecular weight of 379.24 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 1485345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).