N-benzylsulfonylbenzenesulfonamide

C13H13NO4S2 — CID 102116917

IUPACN-benzylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO4S2/c15-19(16,11-12-7-3-1-4-8-12)14-20(17,18)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyMWAISXCLHVBOPA-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.49
Rot. Bonds5

About N-benzylsulfonylbenzenesulfonamide

N-benzylsulfonylbenzenesulfonamide (PubChem CID 102116917) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-benzylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzylsulfonylbenzenesulfonamide
PubChem CID102116917
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC NameN-benzylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H13NO4S2/c15-19(16,11-12-7-3-1-4-8-12)14-20(17,18)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyMWAISXCLHVBOPA-UHFFFAOYSA-N
XLogP1.49
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
4-hydroxy-N-(2-phenylethylsulfonyl)benzenesulfonamide
CID 167906551
N-(2-oxoethyl)-1-phenylmethanesulfonamide
CID 89052958
2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide
CID 166212100
N-iodo-1-phenylmethanesulfonamide
CID 88874569
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-sulfamoylbenzenesulfonamide
CID 54343510
(benzylsulfonylamino)urea
CID 21225494
N-(methylideneamino)-1-phenylmethanesulfonamide
CID 141191936
4-[2-(benzylsulfonylamino)ethyl]-N-ethylbenzenesulfonamide
CID 112507244
1-phenyl-N-phenylsulfanylmethanesulfonamide
CID 146422140
N-[3-[4-[(dimethylamino)methyl]phenoxy]propylsulfonyl]benzenesulfonamide
CID 58820983

Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonylbenzenesulfonamide?
The IUPAC name of N-benzylsulfonylbenzenesulfonamide (CID 102116917) is N-benzylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-benzylsulfonylbenzenesulfonamide?
The canonical SMILES for N-benzylsulfonylbenzenesulfonamide is O=S(=O)(Cc1ccccc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-benzylsulfonylbenzenesulfonamide?
The InChIKey is MWAISXCLHVBOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c15-19(16,11-12-7-3-1-4-8-12)14-20(17,18)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of N-benzylsulfonylbenzenesulfonamide?
N-benzylsulfonylbenzenesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonylbenzenesulfonamide is sourced from PubChem (CID 102116917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).