2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide

C12H7Cl4NO4S2 — CID 121010955

IUPAC2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
SMILESO=S(=O)(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl4NO4S2/c13-7-1-3-9(15)11(5-7)22(18,19)17-23(20,21)12-6-8(14)2-4-10(12)16/h1-6,17H
InChIKeyGBSULIQSJJKXGL-UHFFFAOYSA-N
MW435.14 g/mol
LogP3.97
Rot. Bonds4

About 2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide

2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide (PubChem CID 121010955) has the molecular formula C12H7Cl4NO4S2 and a molecular weight of 435.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
PubChem CID121010955
Molecular FormulaC12H7Cl4NO4S2
Molecular Weight435.14 g/mol
Exact Mass432.86
IUPAC Name2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
SMILESO=S(=O)(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl4NO4S2/c13-7-1-3-9(15)11(5-7)22(18,19)17-23(20,21)12-6-8(14)2-4-10(12)16/h1-6,17H
InChIKeyGBSULIQSJJKXGL-UHFFFAOYSA-N
XLogP3.97
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8500705
2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
CID 107848386
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
2,5-dichloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007400
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
barium(2+);2,5-dichlorobenzenesulfonic acid;hydride
CID 173437131
CID 87064436
CID 87064436
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide (CID 121010955) is 2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide is O=S(=O)(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide?
The InChIKey is GBSULIQSJJKXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO4S2/c13-7-1-3-9(15)11(5-7)22(18,19)17-23(20,21)12-6-8(14)2-4-10(12)16/h1-6,17H.
What are the key properties of 2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide?
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide has a molecular weight of 435.14 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 121010955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).