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

C14H11Cl2FO3S — CID 159479800

IUPAC2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol
SMILESCc1ccc(F)c(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C14H11Cl2FO3S/c1-8-2-3-12(17)9(4-8)7-21(19,20)13-6-10(15)5-11(16)14(13)18/h2-6,18H,7H2,1H3
InChIKeyLWVXAPDPBXESOM-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.12
Rot. Bonds3

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

2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol (PubChem CID 159479800) has the molecular formula C14H11Cl2FO3S and a molecular weight of 349.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol
PubChem CID159479800
Molecular FormulaC14H11Cl2FO3S
Molecular Weight349.21 g/mol
Exact Mass347.98
IUPAC Name2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol
SMILESCc1ccc(F)c(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C14H11Cl2FO3S/c1-8-2-3-12(17)9(4-8)7-21(19,20)13-6-10(15)5-11(16)14(13)18/h2-6,18H,7H2,1H3
InChIKeyLWVXAPDPBXESOM-UHFFFAOYSA-N
XLogP4.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol 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

2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol
CID 158823188
2,4-dichloro-6-[(3-chloro-5-methylphenyl)methylsulfonyl]phenol
CID 159246724
2-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 160808013
2-(cyclopropylsulfonylmethyl)-1-fluoro-4-methylbenzene
CID 158363835
methyl 3-chloro-5-[(2,4-difluoro-3-phenylphenyl)methylsulfonyl]-4-hydroxybenzoate
CID 157288321
4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol
CID 157399683
2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-4-methylaniline
CID 81182884
3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt
CID 87271498
barium(2+);bis(3,5-dichloro-2-hydroxybenzenesulfonate)
CID 139842253
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
2-[(2,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81193184

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol (CID 159479800) is 2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol is Cc1ccc(F)c(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol?
The InChIKey is LWVXAPDPBXESOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO3S/c1-8-2-3-12(17)9(4-8)7-21(19,20)13-6-10(15)5-11(16)14(13)18/h2-6,18H,7H2,1H3.
What are the key properties of 2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol?
2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol has a molecular weight of 349.21 g/mol, XLogP of 4.12, 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-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol is sourced from PubChem (CID 159479800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).