3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride

C13H10Cl2O3S — CID 61373146

IUPAC3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
SMILESCc1cccc(Oc2ccc(S(=O)(=O)Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2O3S/c1-9-3-2-4-10(7-9)18-13-6-5-11(8-12(13)14)19(15,16)17/h2-8H,1H3
InChIKeyHWEBSGFYQFIPSP-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.37
Rot. Bonds3

About 3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride

3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride (PubChem CID 61373146) has the molecular formula C13H10Cl2O3S and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
PubChem CID61373146
Molecular FormulaC13H10Cl2O3S
Molecular Weight317.19 g/mol
Exact Mass315.97
IUPAC Name3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
SMILESCc1cccc(Oc2ccc(S(=O)(=O)Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2O3S/c1-9-3-2-4-10(7-9)18-13-6-5-11(8-12(13)14)19(15,16)17/h2-8H,1H3
InChIKeyHWEBSGFYQFIPSP-UHFFFAOYSA-N
XLogP4.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonyl chloride
CID 61372963
3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride
CID 82717120
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
3-chloro-4-(4-methylsulfanylphenoxy)benzenesulfonyl chloride
CID 63649148
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703
3-(4-bromo-2,5-dichlorophenoxy)benzenesulfonyl chloride
CID 112749266
1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 55133247
(1S)-1-[3-chloro-4-(3-methylphenoxy)phenyl]ethanol
CID 78941603
3-chloro-4-(4-nitrophenoxy)benzenesulfonyl chloride
CID 12505133
3-(4-methylphenoxy)benzenesulfonyl chloride
CID 3840556
3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride
CID 61375597
3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride
CID 61375214

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride (CID 61373146) is 3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride is Cc1cccc(Oc2ccc(S(=O)(=O)Cl)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride?
The InChIKey is HWEBSGFYQFIPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O3S/c1-9-3-2-4-10(7-9)18-13-6-5-11(8-12(13)14)19(15,16)17/h2-8H,1H3.
What are the key properties of 3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride?
3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride has a molecular weight of 317.19 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 61373146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).