2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide

C20H14BrF2N5O2S — CID 70663339

IUPAC2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESCN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C20H14BrF2N5O2S/c1-27(31(29,30)20-17(21)7-15(22)8-18(20)23)26-11-16-10-25-19-5-4-14(12-28(16)19)13-3-2-6-24-9-13/h2-12H,1H3
InChIKeyTWBCFAZQPBFUCQ-UHFFFAOYSA-N
MW506.33 g/mol
LogP4.09
Rot. Bonds5

About 2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide

2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 70663339) has the molecular formula C20H14BrF2N5O2S and a molecular weight of 506.33 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
PubChem CID70663339
Molecular FormulaC20H14BrF2N5O2S
Molecular Weight506.33 g/mol
Exact Mass505.00
IUPAC Name2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESCN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C20H14BrF2N5O2S/c1-27(31(29,30)20-17(21)7-15(22)8-18(20)23)26-11-16-10-25-19-5-4-14(12-28(16)19)13-3-2-6-24-9-13/h2-12H,1H3
InChIKeyTWBCFAZQPBFUCQ-UHFFFAOYSA-N
XLogP4.09
TPSA79.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-2-[4-(piperidin-1-ylsulfonyl)phenyl]imidazo[1,2-a]pyridine
CID 2909198
5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745697
N-(5-(Imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936737
N-(5-(3-cyanoimidazo(1,2-a)pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936848
N-(5-(3-(Pyridin-4-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52937061
N-(5-(3-Cyanoimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 52937064
7-Methyl-2-[3-(piperidin-1-ylsulfonyl)phenyl]imidazo[1,2-a]pyridine
CID 4558691
4-fluoro-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-N-phenylbenzenesulfonamide
CID 9114448
3-Benzyl-6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 46904881
N-(5-(3-Phenylimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
CID 52936960
8-Methyl-2-(4-(piperidin-1-ylsulfonyl)phenyl)imidazo[1,2-a]pyridine
CID 1156028
N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 46913313

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide (CID 70663339) is 2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide is CN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is TWBCFAZQPBFUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF2N5O2S/c1-27(31(29,30)20-17(21)7-15(22)8-18(20)23)26-11-16-10-25-19-5-4-14(12-28(16)19)13-3-2-6-24-9-13/h2-12H,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 506.33 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 70663339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).