N-(benzenesulfonylmethyl)benzenesulfonamide

C13H13NO4S2 — CID 23452744

IUPACN-(benzenesulfonylmethyl)benzenesulfonamide
SMILESO=S(=O)(CNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13NO4S2/c15-19(16,12-7-3-1-4-8-12)11-14-20(17,18)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyHOSNOHWOWOLYSN-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.40
Rot. Bonds5

About N-(benzenesulfonylmethyl)benzenesulfonamide

N-(benzenesulfonylmethyl)benzenesulfonamide (PubChem CID 23452744) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(benzenesulfonylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonylmethyl)benzenesulfonamide
PubChem CID23452744
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC NameN-(benzenesulfonylmethyl)benzenesulfonamide
SMILESO=S(=O)(CNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13NO4S2/c15-19(16,12-7-3-1-4-8-12)11-14-20(17,18)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyHOSNOHWOWOLYSN-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
CID 123703958
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
N-(4-bromobutyl)benzenesulfonamide
CID 106846700

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonylmethyl)benzenesulfonamide?
The IUPAC name of N-(benzenesulfonylmethyl)benzenesulfonamide (CID 23452744) is N-(benzenesulfonylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonylmethyl)benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonylmethyl)benzenesulfonamide is O=S(=O)(CNS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzenesulfonylmethyl)benzenesulfonamide?
The InChIKey is HOSNOHWOWOLYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c15-19(16,12-7-3-1-4-8-12)11-14-20(17,18)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of N-(benzenesulfonylmethyl)benzenesulfonamide?
N-(benzenesulfonylmethyl)benzenesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonylmethyl)benzenesulfonamide is sourced from PubChem (CID 23452744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).