2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol

C14H11Cl3O3S — CID 159246724

IUPAC2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol
SMILESCc1cc(Cl)cc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C14H11Cl3O3S/c1-8-2-9(4-10(15)3-8)7-21(19,20)13-6-11(16)5-12(17)14(13)18/h2-6,18H,7H2,1H3
InChIKeyRIISESVYIFSSAV-UHFFFAOYSA-N
MW365.67 g/mol
LogP4.63
Rot. Bonds3

About 2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol

2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol (PubChem CID 159246724) has the molecular formula C14H11Cl3O3S and a molecular weight of 365.67 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol
PubChem CID159246724
Molecular FormulaC14H11Cl3O3S
Molecular Weight365.67 g/mol
Exact Mass363.95
IUPAC Name2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol
SMILESCc1cc(Cl)cc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C14H11Cl3O3S/c1-8-2-9(4-10(15)3-8)7-21(19,20)13-6-11(16)5-12(17)14(13)18/h2-6,18H,7H2,1H3
InChIKeyRIISESVYIFSSAV-UHFFFAOYSA-N
XLogP4.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol (CID 159246724) is 2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol is Cc1cc(Cl)cc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol?
The InChIKey is RIISESVYIFSSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O3S/c1-8-2-9(4-10(15)3-8)7-21(19,20)13-6-11(16)5-12(17)14(13)18/h2-6,18H,7H2,1H3.
What are the key properties of 2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol?
2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol has a molecular weight of 365.67 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol is sourced from PubChem (CID 159246724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).