2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride

C8H10ClNO4S2 — CID 43469166

IUPAC2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride
SMILESCNS(=O)(=O)c1ccc(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H10ClNO4S2/c1-6-3-4-7(16(13,14)10-2)5-8(6)15(9,11)12/h3-5,10H,1-2H3
InChIKeyAYRFRMMLYHWUMD-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.83
Rot. Bonds3

About 2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride

2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride (PubChem CID 43469166) has the molecular formula C8H10ClNO4S2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride
PubChem CID43469166
Molecular FormulaC8H10ClNO4S2
Molecular Weight283.76 g/mol
Exact Mass282.97
IUPAC Name2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride
SMILESCNS(=O)(=O)c1ccc(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C8H10ClNO4S2/c1-6-3-4-7(16(13,14)10-2)5-8(6)15(9,11)12/h3-5,10H,1-2H3
InChIKeyAYRFRMMLYHWUMD-UHFFFAOYSA-N
XLogP0.83
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,4-dimethylbenzene-1,3-disulfonamide
CID 43363677
3-iodo-N,4-dimethylbenzenesulfonamide
CID 2817416
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
2-(hydroxymethyl)-4-(methylsulfamoyl)benzenesulfonyl chloride
CID 152625381
4-N,2-dimethylbenzene-1,4-disulfonamide
CID 162500455
N,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 75486975
N,4-dimethyl-3-(pentylamino)benzenesulfonamide
CID 43752016
5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride
CID 82307954
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
2-methyl-5-nitrobenzenesulfonyl chloride
CID 8457
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 70996925
4-methyl-3-(4-methylphenyl)sulfonylbenzenesulfonyl chloride
CID 54521473

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride (CID 43469166) is 2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride is CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is AYRFRMMLYHWUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO4S2/c1-6-3-4-7(16(13,14)10-2)5-8(6)15(9,11)12/h3-5,10H,1-2H3.
What are the key properties of 2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride?
2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 283.76 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 43469166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).