(1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol

C14H11Cl3O3S — CID 7085860

IUPAC(1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol
SMILESO=S(=O)(C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl3O3S/c15-10-2-4-11(5-3-10)21(19,20)8-14(18)9-1-6-12(16)13(17)7-9/h1-7,14,18H,8H2/t14-/m1/s1
InChIKeyVTMQUTMMUZYWKK-CQSZACIVSA-N
MW365.67 g/mol
LogP4.15
Rot. Bonds4

About (1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol

(1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol (PubChem CID 7085860) has the molecular formula C14H11Cl3O3S and a molecular weight of 365.67 g/mol. Its IUPAC name is (1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol
PubChem CID7085860
Molecular FormulaC14H11Cl3O3S
Molecular Weight365.67 g/mol
Exact Mass363.95
IUPAC Name(1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol
SMILESO=S(=O)(C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl3O3S/c15-10-2-4-11(5-3-10)21(19,20)8-14(18)9-1-6-12(16)13(17)7-9/h1-7,14,18H,8H2/t14-/m1/s1
InChIKeyVTMQUTMMUZYWKK-CQSZACIVSA-N
XLogP4.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol
CID 106584901
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
(2S)-1-(4-chlorophenyl)sulfonyl-3-(3,4-dichlorophenoxy)propan-2-ol
CID 6976971
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride
CID 115047465
1-(4-chlorophenyl)sulfonyl-3-methylbutan-2-ol
CID 106584897
[2-(3,4-dichlorophenyl)-2-hydroxyethyl] 4-methylbenzenesulfonate
CID 23242292
[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl] methanesulfonate
CID 87402550
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
(3,4-dichlorophenyl)-hydroxymethanesulfonic acid
CID 103574429
N-[(4-chlorophenyl)sulfonyl-(3,4-dichlorophenyl)methyl]-2-sulfanylacetamide
CID 88752651

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of (1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol (CID 7085860) is (1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for (1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for (1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol is O=S(=O)(C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is VTMQUTMMUZYWKK-CQSZACIVSA-N. The full InChI is InChI=1S/C14H11Cl3O3S/c15-10-2-4-11(5-3-10)21(19,20)8-14(18)9-1-6-12(16)13(17)7-9/h1-7,14,18H,8H2/t14-/m1/s1.
What are the key properties of (1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol?
(1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol has a molecular weight of 365.67 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-chlorophenyl)sulfonyl-1-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 7085860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).