(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol

C17H19ClO4S — CID 27171385

IUPAC(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol
SMILESO=S(=O)(Cc1ccccc1)C[C@@H](O)COCc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClO4S/c18-16-8-6-14(7-9-16)10-22-11-17(19)13-23(20,21)12-15-4-2-1-3-5-15/h1-9,17,19H,10-13H2/t17-/m0/s1
InChIKeyAYEOGRIHRBGMHB-KRWDZBQOSA-N
MW354.86 g/mol
LogP2.83
Rot. Bonds8

About (2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol

(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol (PubChem CID 27171385) has the molecular formula C17H19ClO4S and a molecular weight of 354.86 g/mol. Its IUPAC name is (2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol
PubChem CID27171385
Molecular FormulaC17H19ClO4S
Molecular Weight354.86 g/mol
Exact Mass354.07
IUPAC Name(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol
SMILESO=S(=O)(Cc1ccccc1)C[C@@H](O)COCc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClO4S/c18-16-8-6-14(7-9-16)10-22-11-17(19)13-23(20,21)12-15-4-2-1-3-5-15/h1-9,17,19H,10-13H2/t17-/m0/s1
InChIKeyAYEOGRIHRBGMHB-KRWDZBQOSA-N
XLogP2.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(4-chlorophenyl)methylsulfonyl]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977014
(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
1-benzylsulfonyl-3-methoxypropan-2-ol
CID 6456201
benzyl-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
CID 2359138
1-[(4-chlorophenyl)methoxy]-3-pyridin-2-ylsulfonylpropan-2-ol
CID 5338960
(2S)-1-[(4-chlorophenyl)methylsulfonyl]-3-(4-fluorophenoxy)propan-2-ol
CID 6977008
3-benzylsulfonylpropane-1,2-diol
CID 111757505
1-(2-benzylsulfonyl-1-chloroethyl)-4-chlorobenzene
CID 86105400
2-[(4-chlorophenyl)methylsulfonyl]-1-(2-fluorophenyl)ethanol
CID 110905426
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
2-[(4-chlorophenyl)methoxymethyl]-3-methylbutane-1-sulfonyl chloride
CID 65131172

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The IUPAC name of (2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol (CID 27171385) is (2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol is O=S(=O)(Cc1ccccc1)C[C@@H](O)COCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The InChIKey is AYEOGRIHRBGMHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19ClO4S/c18-16-8-6-14(7-9-16)10-22-11-17(19)13-23(20,21)12-15-4-2-1-3-5-15/h1-9,17,19H,10-13H2/t17-/m0/s1.
What are the key properties of (2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol?
(2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol has a molecular weight of 354.86 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzylsulfonyl-3-[(4-chlorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 27171385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).