1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene

C15H15ClO3S — CID 173278800

IUPAC1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene
SMILESCCOc1ccc(-c2cc(Cl)cc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C15H15ClO3S/c1-3-19-14-6-4-11(5-7-14)12-8-13(16)10-15(9-12)20(2,17)18/h4-10H,3H2,1-2H3
InChIKeyRVJPXWOYKPQXCK-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.81
Rot. Bonds4

About 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene

1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene (PubChem CID 173278800) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene.

Molecular Properties

Compound Name1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene
PubChem CID173278800
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene
SMILESCCOc1ccc(-c2cc(Cl)cc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C15H15ClO3S/c1-3-19-14-6-4-11(5-7-14)12-8-13(16)10-15(9-12)20(2,17)18/h4-10H,3H2,1-2H3
InChIKeyRVJPXWOYKPQXCK-UHFFFAOYSA-N
XLogP3.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene 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

4-(4-ethoxyphenyl)benzenesulfonic acid
CID 87969611
N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617286
4-chloro-2-(4-ethoxyphenyl)pyridine
CID 102825071
1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
CID 51191187
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
2-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
CID 69330122
2-chloro-4-(4-ethoxyphenyl)aniline
CID 107607643
4-ethoxybenzenesulfonic acid
CID 7013020
(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone
CID 43338379
3-chloro-5-(4-propoxyphenyl)benzoic acid
CID 107957184
2-chloro-5-(4-ethoxyphenyl)pyridine
CID 19765548
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7744622

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene?
The IUPAC name of 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene (CID 173278800) is 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene.
What is the SMILES notation for 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene?
The canonical SMILES for 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene is CCOc1ccc(-c2cc(Cl)cc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene?
The InChIKey is RVJPXWOYKPQXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-3-19-14-6-4-11(5-7-14)12-8-13(16)10-15(9-12)20(2,17)18/h4-10H,3H2,1-2H3.
What are the key properties of 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene?
1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene has a molecular weight of 310.80 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene is sourced from PubChem (CID 173278800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).