2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine

C33H27N3O8S4 — CID 54137238

IUPAC2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine
SMILESO=S(=O)(c1ccccc1)C(C=Nc1cccc(/N=C/C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C33H27N3O8S4/c37-45(38,26-14-5-1-6-15-26)32(46(39,40)27-16-7-2-8-17-27)24-34-30-22-13-23-31(36-30)35-25-33(47(41,42)28-18-9-3-10-19-28)48(43,44)29-20-11-4-12-21-29/h1-25,32-33H/b34-24+,35-25?
InChIKeyNYOYWSDMDSOKDU-OZZNBXDNSA-N
MW721.86 g/mol
LogP5.03
Rot. Bonds12

About 2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine

2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine (PubChem CID 54137238) has the molecular formula C33H27N3O8S4 and a molecular weight of 721.86 g/mol. Its IUPAC name is 2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine.

Molecular Properties

Compound Name2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine
PubChem CID54137238
Molecular FormulaC33H27N3O8S4
Molecular Weight721.86 g/mol
Exact Mass721.07
IUPAC Name2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine
SMILESO=S(=O)(c1ccccc1)C(C=Nc1cccc(/N=C/C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C33H27N3O8S4/c37-45(38,26-14-5-1-6-15-26)32(46(39,40)27-16-7-2-8-17-27)24-34-30-22-13-23-31(36-30)35-25-33(47(41,42)28-18-9-3-10-19-28)48(43,44)29-20-11-4-12-21-29/h1-25,32-33H/b34-24+,35-25?
InChIKeyNYOYWSDMDSOKDU-OZZNBXDNSA-N
XLogP5.03
TPSA174.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500721.86
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine
CID 54377509
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
benzenesulfonyl(phenyl)methanol
CID 174895803
1-bromoethylsulfonylbenzene
CID 13411545
N-[2-(benzenesulfonyl)-4-phenylbut-3-enylidene]hydroxylamine
CID 3723583
benzene;benzenesulfonyl chloride
CID 87647314
[(Z)-pent-3-en-2-yl]sulfonylbenzene
CID 146400079
1,3-dibromopropan-2-ylsulfonylbenzene
CID 11035244
1-chlorobut-3-enylsulfonylbenzene
CID 13411540
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
triphenyl-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-λ4-sulfane
CID 170245167
bis(benzenesulfonyl)methanesulfinic acid
CID 142336859

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine?
The IUPAC name of 2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine (CID 54137238) is 2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine.
What is the SMILES notation for 2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine?
The canonical SMILES for 2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine is O=S(=O)(c1ccccc1)C(C=Nc1cccc(/N=C/C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)n1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine?
The InChIKey is NYOYWSDMDSOKDU-OZZNBXDNSA-N. The full InChI is InChI=1S/C33H27N3O8S4/c37-45(38,26-14-5-1-6-15-26)32(46(39,40)27-16-7-2-8-17-27)24-34-30-22-13-23-31(36-30)35-25-33(47(41,42)28-18-9-3-10-19-28)48(43,44)29-20-11-4-12-21-29/h1-25,32-33H/b34-24+,35-25?.
What are the key properties of 2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine?
2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine has a molecular weight of 721.86 g/mol, XLogP of 5.03, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine is sourced from PubChem (CID 54137238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).