3-(4-methylphenoxy)benzenesulfonyl chloride

C13H11ClO3S — CID 3840556

IUPAC3-(4-methylphenoxy)benzenesulfonyl chloride
SMILESCc1ccc(Oc2cccc(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C13H11ClO3S/c1-10-5-7-11(8-6-10)17-12-3-2-4-13(9-12)18(14,15)16/h2-9H,1H3
InChIKeyONRWTPKXVUWHCL-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.71
Rot. Bonds3

About 3-(4-methylphenoxy)benzenesulfonyl chloride

3-(4-methylphenoxy)benzenesulfonyl chloride (PubChem CID 3840556) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-(4-methylphenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(4-methylphenoxy)benzenesulfonyl chloride
PubChem CID3840556
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name3-(4-methylphenoxy)benzenesulfonyl chloride
SMILESCc1ccc(Oc2cccc(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C13H11ClO3S/c1-10-5-7-11(8-6-10)17-12-3-2-4-13(9-12)18(14,15)16/h2-9H,1H3
InChIKeyONRWTPKXVUWHCL-UHFFFAOYSA-N
XLogP3.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenoxy)benzenesulfonyl chloride 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

3-(4-bromophenoxy)benzenesulfonyl chloride
CID 102537230
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
1-methyl-3-[3-[3-(3-methylphenoxy)phenyl]sulfonylphenoxy]benzene
CID 54209209
[3-(4-methylphenoxy)phenyl]boronic acid
CID 163253669
4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
CID 8484
3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
CID 61373146
3-(4-methoxyphenyl)benzenesulfonyl chloride
CID 4988737
3-pyridin-2-yloxybenzenesulfonyl chloride
CID 166604318
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)benzenesulfonyl chloride?
The IUPAC name of 3-(4-methylphenoxy)benzenesulfonyl chloride (CID 3840556) is 3-(4-methylphenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-(4-methylphenoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-(4-methylphenoxy)benzenesulfonyl chloride is Cc1ccc(Oc2cccc(S(=O)(=O)Cl)c2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)benzenesulfonyl chloride?
The InChIKey is ONRWTPKXVUWHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-10-5-7-11(8-6-10)17-12-3-2-4-13(9-12)18(14,15)16/h2-9H,1H3.
What are the key properties of 3-(4-methylphenoxy)benzenesulfonyl chloride?
3-(4-methylphenoxy)benzenesulfonyl chloride has a molecular weight of 282.75 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 3840556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).