4-(dimethylsulfamoyl)benzenesulfonyl chloride

C8H10ClNO4S2 — CID 3840092

IUPAC4-(dimethylsulfamoyl)benzenesulfonyl chloride
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H10ClNO4S2/c1-10(2)16(13,14)8-5-3-7(4-6-8)15(9,11)12/h3-6H,1-2H3
InChIKeyMONMTDYGPKNEOH-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.86
Rot. Bonds3

About 4-(dimethylsulfamoyl)benzenesulfonyl chloride

4-(dimethylsulfamoyl)benzenesulfonyl chloride (PubChem CID 3840092) has the molecular formula C8H10ClNO4S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)benzenesulfonyl chloride
PubChem CID3840092
Molecular FormulaC8H10ClNO4S2
Molecular Weight283.76 g/mol
Exact Mass282.97
IUPAC Name4-(dimethylsulfamoyl)benzenesulfonyl chloride
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H10ClNO4S2/c1-10(2)16(13,14)8-5-3-7(4-6-8)15(9,11)12/h3-6H,1-2H3
InChIKeyMONMTDYGPKNEOH-UHFFFAOYSA-N
XLogP0.86
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-(dimethylsulfamoyl)benzenesulfonyl chloride (CID 3840092) is 4-(dimethylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(dimethylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(dimethylsulfamoyl)benzenesulfonyl chloride is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is MONMTDYGPKNEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO4S2/c1-10(2)16(13,14)8-5-3-7(4-6-8)15(9,11)12/h3-6H,1-2H3.
What are the key properties of 4-(dimethylsulfamoyl)benzenesulfonyl chloride?
4-(dimethylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 283.76 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 3840092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).