N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide

C20H17NO5S2 — CID 138760798

IUPACN-(benzenesulfonyl)-N-phenacylbenzenesulfonamide
SMILESO=C(CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO5S2/c22-20(17-10-4-1-5-11-17)16-21(27(23,24)18-12-6-2-7-13-18)28(25,26)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyNJXOJPBAIXUSNB-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.95
Rot. Bonds7

About N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide

N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide (PubChem CID 138760798) has the molecular formula C20H17NO5S2 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-phenacylbenzenesulfonamide
PubChem CID138760798
Molecular FormulaC20H17NO5S2
Molecular Weight415.49 g/mol
Exact Mass415.05
IUPAC NameN-(benzenesulfonyl)-N-phenacylbenzenesulfonamide
SMILESO=C(CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17NO5S2/c22-20(17-10-4-1-5-11-17)16-21(27(23,24)18-12-6-2-7-13-18)28(25,26)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyNJXOJPBAIXUSNB-UHFFFAOYSA-N
XLogP2.95
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N,N-diphenacylbenzenesulfonamide
CID 13015122
4-chloro-N-methyl-N-phenacylbenzenesulfonamide
CID 58597544
1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone
CID 66720884
N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide
CID 135065997
chloromethyl(phenacyl)sulfamic acid
CID 174477232
2-(N-hydroxyanilino)-1-phenylethanone
CID 12025652
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
N-methyl-N-phenacylacetamide
CID 15482185
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide (CID 138760798) is N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide is O=C(CN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide?
The InChIKey is NJXOJPBAIXUSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S2/c22-20(17-10-4-1-5-11-17)16-21(27(23,24)18-12-6-2-7-13-18)28(25,26)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide?
N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide has a molecular weight of 415.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide is sourced from PubChem (CID 138760798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).