4-(dimethylsulfamoyl)benzoyl chloride

C9H10ClNO3S — CID 4736794

IUPAC4-(dimethylsulfamoyl)benzoyl chloride
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C9H10ClNO3S/c1-11(2)15(13,14)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3
InChIKeyDSQVYIHTCRCCPC-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.32
Rot. Bonds3

About 4-(dimethylsulfamoyl)benzoyl chloride

4-(dimethylsulfamoyl)benzoyl chloride (PubChem CID 4736794) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)benzoyl chloride.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)benzoyl chloride
PubChem CID4736794
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name4-(dimethylsulfamoyl)benzoyl chloride
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C9H10ClNO3S/c1-11(2)15(13,14)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3
InChIKeyDSQVYIHTCRCCPC-UHFFFAOYSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)benzoyl chloride?
The IUPAC name of 4-(dimethylsulfamoyl)benzoyl chloride (CID 4736794) is 4-(dimethylsulfamoyl)benzoyl chloride.
What is the SMILES notation for 4-(dimethylsulfamoyl)benzoyl chloride?
The canonical SMILES for 4-(dimethylsulfamoyl)benzoyl chloride is CN(C)S(=O)(=O)c1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)benzoyl chloride?
The InChIKey is DSQVYIHTCRCCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-11(2)15(13,14)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3.
What are the key properties of 4-(dimethylsulfamoyl)benzoyl chloride?
4-(dimethylsulfamoyl)benzoyl chloride has a molecular weight of 247.70 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)benzoyl chloride is sourced from PubChem (CID 4736794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).