4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride

C14H12Cl2O4S2 — CID 23452824

IUPAC4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
SMILESCc1cc(-c2ccc(S(=O)(=O)Cl)c(C)c2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C14H12Cl2O4S2/c1-9-7-11(3-5-13(9)21(15,17)18)12-4-6-14(10(2)8-12)22(16,19)20/h3-8H,1-2H3
InChIKeyWMUWWFJGQDWYRW-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.83
Rot. Bonds3

About 4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride

4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride (PubChem CID 23452824) has the molecular formula C14H12Cl2O4S2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
PubChem CID23452824
Molecular FormulaC14H12Cl2O4S2
Molecular Weight379.29 g/mol
Exact Mass377.96
IUPAC Name4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
SMILESCc1cc(-c2ccc(S(=O)(=O)Cl)c(C)c2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C14H12Cl2O4S2/c1-9-7-11(3-5-13(9)21(15,17)18)12-4-6-14(10(2)8-12)22(16,19)20/h3-8H,1-2H3
InChIKeyWMUWWFJGQDWYRW-UHFFFAOYSA-N
XLogP3.83
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride
CID 82307954
4-(chloromethyl)-2-methylbenzenesulfonyl chloride
CID 83272073
5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride
CID 82307949
4-acetyl-2-methylbenzenesulfonyl chloride
CID 146613857
4-carbamoyl-2-methylbenzenesulfonyl chloride
CID 15922007
5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride
CID 82307551
4-(4-chloro-3,5-dimethylphenoxy)-2-methylbenzenesulfonyl chloride
CID 43436519
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688
2-methyl-4-(4-propan-2-ylphenoxy)benzenesulfonyl chloride
CID 43436473
4-(3-fluoropropoxy)-2-methylbenzenesulfonyl chloride
CID 81106046
4-[(E)-but-2-enoxy]-2-methylbenzenesulfonyl chloride
CID 82915922
4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride
CID 43436489

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride (CID 23452824) is 4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride is Cc1cc(-c2ccc(S(=O)(=O)Cl)c(C)c2)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride?
The InChIKey is WMUWWFJGQDWYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O4S2/c1-9-7-11(3-5-13(9)21(15,17)18)12-4-6-14(10(2)8-12)22(16,19)20/h3-8H,1-2H3.
What are the key properties of 4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride?
4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride has a molecular weight of 379.29 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 23452824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).