N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine

C21H19BrN2O4S2 — CID 54377509

IUPACN-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine
SMILESCc1ccc(S(=O)(=O)C(/C=N/c2ccc(Br)cn2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H19BrN2O4S2/c1-15-3-8-18(9-4-15)29(25,26)21(14-24-20-12-7-17(22)13-23-20)30(27,28)19-10-5-16(2)6-11-19/h3-14,21H,1-2H3/b24-14+
InChIKeyUXONYSHLASOHBF-ZVHZXABRSA-N
MW507.43 g/mol
LogP4.44
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine

N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine (PubChem CID 54377509) has the molecular formula C21H19BrN2O4S2 and a molecular weight of 507.43 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine
PubChem CID54377509
Molecular FormulaC21H19BrN2O4S2
Molecular Weight507.43 g/mol
Exact Mass506.00
IUPAC NameN-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine
SMILESCc1ccc(S(=O)(=O)C(/C=N/c2ccc(Br)cn2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H19BrN2O4S2/c1-15-3-8-18(9-4-15)29(25,26)21(14-24-20-12-7-17(22)13-23-20)30(27,28)19-10-5-16(2)6-11-19/h3-14,21H,1-2H3/b24-14+
InChIKeyUXONYSHLASOHBF-ZVHZXABRSA-N
XLogP4.44
TPSA93.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(benzenesulfonyl)-N-[6-[2,2-bis(benzenesulfonyl)ethylideneamino]-2-pyridinyl]ethanimine
CID 54137238
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
(5-bromo-2-pyridinyl) 4-methylbenzenesulfonate
CID 52921066
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)methanimine;ethane
CID 144535132
2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)propan-1-amine
CID 64647047
(5-bromo-2-pyridinyl)-(4-methoxyphenyl)iodanium;4-methylbenzenesulfonate
CID 71619127
3-(4-bromophenyl)-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
CID 10992907
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 175864006
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
CID 170537963

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine (CID 54377509) is N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine is Cc1ccc(S(=O)(=O)C(/C=N/c2ccc(Br)cn2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine?
The InChIKey is UXONYSHLASOHBF-ZVHZXABRSA-N. The full InChI is InChI=1S/C21H19BrN2O4S2/c1-15-3-8-18(9-4-15)29(25,26)21(14-24-20-12-7-17(22)13-23-20)30(27,28)19-10-5-16(2)6-11-19/h3-14,21H,1-2H3/b24-14+.
What are the key properties of N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine?
N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine has a molecular weight of 507.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2,2-bis-(4-methylphenyl)sulfonylethanimine is sourced from PubChem (CID 54377509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).