(6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium

C16H15BrN5O4S+ — CID 71014716

IUPAC(6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium
SMILESCC=[N+](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cnc2ccc(Br)cn12
InChIInChI=1S/C16H15BrN5O4S/c1-3-21(16-9-18-15-7-5-12(17)10-20(15)16)19-27(25,26)14-8-13(22(23)24)6-4-11(14)2/h3-10,19H,1-2H3/q+1
InChIKeyNIRSDIJTMYUZBQ-UHFFFAOYSA-N
MW453.30 g/mol
LogP2.94
Rot. Bonds5

About (6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium

(6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium (PubChem CID 71014716) has the molecular formula C16H15BrN5O4S+ and a molecular weight of 453.30 g/mol. Its IUPAC name is (6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium.

Molecular Properties

Compound Name(6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium
PubChem CID71014716
Molecular FormulaC16H15BrN5O4S+
Molecular Weight453.30 g/mol
Exact Mass452.00
IUPAC Name(6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium
SMILESCC=[N+](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cnc2ccc(Br)cn12
InChIInChI=1S/C16H15BrN5O4S/c1-3-21(16-9-18-15-7-5-12(17)10-20(15)16)19-27(25,26)14-8-13(22(23)24)6-4-11(14)2/h3-10,19H,1-2H3/q+1
InChIKeyNIRSDIJTMYUZBQ-UHFFFAOYSA-N
XLogP2.94
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(6-bromoimidazo[1,2-a]pyridin-3-yl)ethylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 25023750
N-[1-(4-bromophenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 2920405
N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
CID 60792562
sodium 2-methyl-5-nitrobenzenesulfonic acid
CID 23718308
2-methyl-5-nitro-N-prop-2-enylbenzenesulfonamide
CID 14451036
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135722913
2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-5-nitrobenzenesulfonamide
CID 162727235
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfonyl-1,3-thiazole;hydrochloride
CID 16757578
7-bromo-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 83903186
2-methyl-5-nitrobenzenesulfonyl chloride
CID 8457
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611

Frequently Asked Questions

What is the IUPAC name of (6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium?
The IUPAC name of (6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium (CID 71014716) is (6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium.
What is the SMILES notation for (6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium?
The canonical SMILES for (6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium is CC=[N+](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cnc2ccc(Br)cn12.
What is the InChIKey of (6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium?
The InChIKey is NIRSDIJTMYUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN5O4S/c1-3-21(16-9-18-15-7-5-12(17)10-20(15)16)19-27(25,26)14-8-13(22(23)24)6-4-11(14)2/h3-10,19H,1-2H3/q+1.
What are the key properties of (6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium?
(6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium has a molecular weight of 453.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromoimidazo[1,2-a]pyridin-3-yl)-ethylidene-[(2-methyl-5-nitrophenyl)sulfonylamino]azanium is sourced from PubChem (CID 71014716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).