1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol

C15H16ClNO4S — CID 5338960

IUPAC1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol
SMILESO=S(=O)(CC(O)COCc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C15H16ClNO4S/c16-13-6-4-12(5-7-13)9-21-10-14(18)11-22(19,20)15-3-1-2-8-17-15/h1-8,14,18H,9-11H2
InChIKeyPPGJSVFMUQQMAZ-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.09
Rot. Bonds7

About 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol

1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol (PubChem CID 5338960) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol
PubChem CID5338960
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol
SMILESO=S(=O)(CC(O)COCc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C15H16ClNO4S/c16-13-6-4-12(5-7-13)9-21-10-14(18)11-22(19,20)15-3-1-2-8-17-15/h1-8,14,18H,9-11H2
InChIKeyPPGJSVFMUQQMAZ-UHFFFAOYSA-N
XLogP2.09
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-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

(2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol
CID 685739
(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 27171385
(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977014
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3-pyridin-2-yl-1,2,4-triazol-1-yl)propan-2-ol
CID 99780430
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
benzyl-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
CID 2359138
1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 16553417
1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 60897419
1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
CID 60900159
(3S)-4-[(4-chlorophenyl)methoxy]-3-hydroxybutanenitrile
CID 71446146
(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol (CID 5338960) is 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol is O=S(=O)(CC(O)COCc1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol?
The InChIKey is PPGJSVFMUQQMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c16-13-6-4-12(5-7-13)9-21-10-14(18)11-22(19,20)15-3-1-2-8-17-15/h1-8,14,18H,9-11H2.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol has a molecular weight of 341.82 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol is sourced from PubChem (CID 5338960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).