3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide

C9H14N2O6S3 — CID 63243241

IUPAC3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H14N2O6S3/c1-18(12,13)5-6-19(14,15)11-8-3-2-4-9(7-8)20(10,16)17/h2-4,7,11H,5-6H2,1H3,(H2,10,16,17)
InChIKeyLDLDMQHKDZNFHN-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.88
Rot. Bonds6

About 3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide

3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide (PubChem CID 63243241) has the molecular formula C9H14N2O6S3 and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide
PubChem CID63243241
Molecular FormulaC9H14N2O6S3
Molecular Weight342.42 g/mol
Exact Mass342.00
IUPAC Name3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C9H14N2O6S3/c1-18(12,13)5-6-19(14,15)11-8-3-2-4-9(7-8)20(10,16)17/h2-4,7,11H,5-6H2,1H3,(H2,10,16,17)
InChIKeyLDLDMQHKDZNFHN-UHFFFAOYSA-N
XLogP-0.88
TPSA140.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026524
3-(3,3-dimethylbutylsulfonylamino)benzenesulfonamide
CID 103727879
methyl 3-[(3-sulfamoylphenyl)sulfamoyl]propanoate
CID 60675335
methyl 4-[(3-sulfamoylphenyl)sulfamoyl]butanoate
CID 61457458
N-(3-amino-4-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 79768205
3-[(3-chloro-2-methylpropyl)sulfonylamino]benzenesulfonamide
CID 79585777
3-(ethylsulfamoylamino)benzenesulfonamide
CID 114812411
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methylsulfonylethanesulfonamide
CID 63243098
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460
N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide
CID 64794415
3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
CID 159144655
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide (CID 63243241) is 3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide is CS(=O)(=O)CCS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide?
The InChIKey is LDLDMQHKDZNFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6S3/c1-18(12,13)5-6-19(14,15)11-8-3-2-4-9(7-8)20(10,16)17/h2-4,7,11H,5-6H2,1H3,(H2,10,16,17).
What are the key properties of 3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide?
3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 63243241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).