4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride

C15H11Cl3O3S — CID 10643339

IUPAC4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride
SMILESCc1cc(-c2cc(Cl)cc(Cl)c2)c(S(C)(=O)=O)cc1C(=O)Cl
InChIInChI=1S/C15H11Cl3O3S/c1-8-3-13(9-4-10(16)6-11(17)5-9)14(22(2,20)21)7-12(8)15(18)19/h3-7H,1-2H3
InChIKeyQFNWHUJGJLGSDZ-UHFFFAOYSA-N
MW377.68 g/mol
LogP4.75
Rot. Bonds3

About 4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride

4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride (PubChem CID 10643339) has the molecular formula C15H11Cl3O3S and a molecular weight of 377.68 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride
PubChem CID10643339
Molecular FormulaC15H11Cl3O3S
Molecular Weight377.68 g/mol
Exact Mass375.95
IUPAC Name4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride
SMILESCc1cc(-c2cc(Cl)cc(Cl)c2)c(S(C)(=O)=O)cc1C(=O)Cl
InChIInChI=1S/C15H11Cl3O3S/c1-8-3-13(9-4-10(16)6-11(17)5-9)14(22(2,20)21)7-12(8)15(18)19/h3-7H,1-2H3
InChIKeyQFNWHUJGJLGSDZ-UHFFFAOYSA-N
XLogP4.75
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.68
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-methylsulfonyl-4-phenylbenzoyl chloride
CID 10542873
N-(diaminomethylidene)-4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 10810981
4-(4-fluorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride
CID 10830024
4-ethyl-2-methyl-5-methylsulfonylbenzoyl chloride
CID 10801350
2-methyl-4-methylsulfinyl-5-methylsulfonylbenzoyl chloride
CID 18927431
4-ethoxy-2-methyl-5-methylsulfonylbenzoyl chloride
CID 10588538
4-butyl-2-methyl-5-methylsulfonylbenzoyl chloride
CID 174327508
2-methyl-4-[methyl(pyrimidin-2-yl)amino]-5-methylsulfonylbenzoyl chloride
CID 18930205
4-[4-(4-aminophenyl)anilino]-2-methyl-5-methylsulfonylbenzoyl chloride
CID 151575097
4-(2-methoxyanilino)-2-methyl-5-methylsulfonylbenzoyl chloride
CID 18930159
N-(diaminomethylidene)-2-methyl-4-(4-methylphenyl)-5-methylsulfonylbenzamide;hydrochloride
CID 172812581
2-methyl-5-methylsulfonyl-4-(pyridin-4-ylamino)benzoyl chloride
CID 18930201

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride?
The IUPAC name of 4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride (CID 10643339) is 4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride?
The canonical SMILES for 4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride is Cc1cc(-c2cc(Cl)cc(Cl)c2)c(S(C)(=O)=O)cc1C(=O)Cl.
What is the InChIKey of 4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride?
The InChIKey is QFNWHUJGJLGSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O3S/c1-8-3-13(9-4-10(16)6-11(17)5-9)14(22(2,20)21)7-12(8)15(18)19/h3-7H,1-2H3.
What are the key properties of 4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride?
4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride has a molecular weight of 377.68 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzoyl chloride is sourced from PubChem (CID 10643339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).