N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide

C17H16BrN5O4S — CID 25023750

IUPACN-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
SMILESC/C(=N\N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cnc2ccc(Br)cn12
InChIInChI=1S/C17H16BrN5O4S/c1-11-4-6-14(23(24)25)8-16(11)28(26,27)21(3)20-12(2)15-9-19-17-7-5-13(18)10-22(15)17/h4-10H,1-3H3/b20-12+
InChIKeyKKRZFLKUUIPLCW-UDWIEESQSA-N
MW466.32 g/mol
LogP3.36
Rot. Bonds5

About N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide

N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide (PubChem CID 25023750) has the molecular formula C17H16BrN5O4S and a molecular weight of 466.32 g/mol. Its IUPAC name is N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
PubChem CID25023750
Molecular FormulaC17H16BrN5O4S
Molecular Weight466.32 g/mol
Exact Mass465.01
IUPAC NameN-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
SMILESC/C(=N\N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cnc2ccc(Br)cn12
InChIInChI=1S/C17H16BrN5O4S/c1-11-4-6-14(23(24)25)8-16(11)28(26,27)21(3)20-12(2)15-9-19-17-7-5-13(18)10-22(15)17/h4-10H,1-3H3/b20-12+
InChIKeyKKRZFLKUUIPLCW-UDWIEESQSA-N
XLogP3.36
TPSA110.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium
CID 71014716
N,2-dimethyl-N-[(E)-[6-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]imidazo[1,2-a]pyridin-3-yl]methylideneamino]-5-nitrobenzenesulfonamide
CID 142454371
N-[(Z)-1-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 46834968
N-[(E)-1-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 57391917
N-ethyl-2-methyl-5-nitro-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
CID 67194690
sodium 2-methyl-5-nitrobenzenesulfonic acid
CID 23718308
N-(2-bromophenyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 100537727
2-methyl-2-[methyl-(2-methyl-5-nitrophenyl)sulfonylamino]propanoic acid
CID 62817268
7-bromo-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 83903186
N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide
CID 2920408
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-[(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]benzenesulfonamide
CID 123599967
N-[(E)-1-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)butylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 57390137

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide (CID 25023750) is N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide is C/C(=N\N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cnc2ccc(Br)cn12.
What is the InChIKey of N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide?
The InChIKey is KKRZFLKUUIPLCW-UDWIEESQSA-N. The full InChI is InChI=1S/C17H16BrN5O4S/c1-11-4-6-14(23(24)25)8-16(11)28(26,27)21(3)20-12(2)15-9-19-17-7-5-13(18)10-22(15)17/h4-10H,1-3H3/b20-12+.
What are the key properties of N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide?
N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide has a molecular weight of 466.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 25023750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).