3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide

C8H11ClN2O6S3 — CID 82843552

IUPAC3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C8H11ClN2O6S3/c1-18(12,13)5-19(14,15)11-8-3-2-6(4-7(8)9)20(10,16)17/h2-4,11H,5H2,1H3,(H2,10,16,17)
InChIKeyDSXQXNYJGARCHK-UHFFFAOYSA-N
MW362.84 g/mol
LogP-0.27
Rot. Bonds5

About 3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide

3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide (PubChem CID 82843552) has the molecular formula C8H11ClN2O6S3 and a molecular weight of 362.84 g/mol. Its IUPAC name is 3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide
PubChem CID82843552
Molecular FormulaC8H11ClN2O6S3
Molecular Weight362.84 g/mol
Exact Mass361.95
IUPAC Name3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C8H11ClN2O6S3/c1-18(12,13)5-19(14,15)11-8-3-2-6(4-7(8)9)20(10,16)17/h2-4,11H,5H2,1H3,(H2,10,16,17)
InChIKeyDSXQXNYJGARCHK-UHFFFAOYSA-N
XLogP-0.27
TPSA140.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-(3-methoxypropylsulfonylamino)benzenesulfonamide
CID 63290463
4-chloro-3-(ethylsulfonylamino)benzenesulfonamide
CID 61132365
N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842049
4-chloro-3-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666623
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
N-(5-amino-2-methylphenyl)-1-methylsulfonylmethanesulfonamide
CID 82839900
3-bromo-4-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666622
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1-methylsulfonylmethanesulfonamide
CID 82842179
N-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
N-(2-chloro-4-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475777
N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide
CID 23645367

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide (CID 82843552) is 3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide is CS(=O)(=O)CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide?
The InChIKey is DSXQXNYJGARCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O6S3/c1-18(12,13)5-19(14,15)11-8-3-2-6(4-7(8)9)20(10,16)17/h2-4,11H,5H2,1H3,(H2,10,16,17).
What are the key properties of 3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide?
3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methylsulfonylmethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 82843552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).