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

C15H13ClF2O4S — CID 1485361

IUPAC(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
SMILESO=S(=O)(C[C@@H](O)COc1ccc(F)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H13ClF2O4S/c16-14-7-11(18)3-6-15(14)22-8-12(19)9-23(20,21)13-4-1-10(17)2-5-13/h1-7,12,19H,8-9H2/t12-/m0/s1
InChIKeyXMWNUCGQPBZEMW-LBPRGKRZSA-N
MW362.78 g/mol
LogP2.83
Rot. Bonds6

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

(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol (PubChem CID 1485361) has the molecular formula C15H13ClF2O4S and a molecular weight of 362.78 g/mol. Its IUPAC name is (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
PubChem CID1485361
Molecular FormulaC15H13ClF2O4S
Molecular Weight362.78 g/mol
Exact Mass362.02
IUPAC Name(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
SMILESO=S(=O)(C[C@@H](O)COc1ccc(F)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H13ClF2O4S/c16-14-7-11(18)3-6-15(14)22-8-12(19)9-23(20,21)13-4-1-10(17)2-5-13/h1-7,12,19H,8-9H2/t12-/m0/s1
InChIKeyXMWNUCGQPBZEMW-LBPRGKRZSA-N
XLogP2.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
CID 1485345
(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
(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 97085392
1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 71943765
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 64717111
(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
CID 6976971
1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993090
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-(2,4-dichlorophenoxy)-3-(2,5-dimethoxyphenyl)sulfonylpropan-2-ol
CID 23847581
2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372200

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol?
The IUPAC name of (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol (CID 1485361) is (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol?
The canonical SMILES for (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol is O=S(=O)(C[C@@H](O)COc1ccc(F)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol?
The InChIKey is XMWNUCGQPBZEMW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13ClF2O4S/c16-14-7-11(18)3-6-15(14)22-8-12(19)9-23(20,21)13-4-1-10(17)2-5-13/h1-7,12,19H,8-9H2/t12-/m0/s1.
What are the key properties of (2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol?
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol has a molecular weight of 362.78 g/mol, XLogP of 2.83, 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-fluorophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 1485361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).