(1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol

C12H13ClN2O3S — CID 97243157

IUPAC(1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol
SMILESCS(=O)(=O)c1nccn1C[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c1-19(17,18)12-14-5-6-15(12)8-11(16)9-3-2-4-10(13)7-9/h2-7,11,16H,8H2,1H3/t11-/m1/s1
InChIKeySZCSZRVGEOFEOH-LLVKDONJSA-N
MW300.77 g/mol
LogP1.67
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol

(1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol (PubChem CID 97243157) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol
PubChem CID97243157
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name(1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol
SMILESCS(=O)(=O)c1nccn1C[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c1-19(17,18)12-14-5-6-15(12)8-11(16)9-3-2-4-10(13)7-9/h2-7,11,16H,8H2,1H3/t11-/m1/s1
InChIKeySZCSZRVGEOFEOH-LLVKDONJSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-2-(2-methylimidazol-1-yl)ethanol
CID 110885644
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
N-[1-[2-(3-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986979
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 111969239
(1S)-1-(4-methylsulfonylphenyl)-2-(2-propylimidazol-1-yl)ethanol
CID 97243123
2-(2-methylimidazol-1-yl)-1-(3-nitrophenyl)ethanol
CID 75432602
[2-[1-(3-chlorophenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate
CID 66771446
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560593
1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 109411694

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol?
The IUPAC name of (1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol (CID 97243157) is (1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol is CS(=O)(=O)c1nccn1C[C@@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol?
The InChIKey is SZCSZRVGEOFEOH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-19(17,18)12-14-5-6-15(12)8-11(16)9-3-2-4-10(13)7-9/h2-7,11,16H,8H2,1H3/t11-/m1/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol?
(1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol has a molecular weight of 300.77 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-2-(2-methylsulfonylimidazol-1-yl)ethanol is sourced from PubChem (CID 97243157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).