N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide

C16H16N4O4S — CID 7150783

IUPACN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C16H16N4O4S/c1-12-5-6-14(20(21)22)10-15(12)25(23,24)17-8-7-13-11-19-9-3-2-4-16(19)18-13/h2-6,9-11,17H,7-8H2,1H3
InChIKeyVARRUQVPUXBGEA-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.07
Rot. Bonds6

About N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 7150783) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
PubChem CID7150783
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC NameN-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C16H16N4O4S/c1-12-5-6-14(20(21)22)10-15(12)25(23,24)17-8-7-13-11-19-9-3-2-4-16(19)18-13/h2-6,9-11,17H,7-8H2,1H3
InChIKeyVARRUQVPUXBGEA-UHFFFAOYSA-N
XLogP2.07
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Pik-75
CID 10275789
Imidazopyridine derivative, 8d
CID 18766054
Imidazopyridine derivative, 8h
CID 18766055
Imidazopyridine derivative, 4
CID 9934678
Imidazo[1,2-a]pyridine derivative, 2g
CID 10139567
Imidazopyridine derivative, 8g
CID 10271535
Imidazopyridine derivative, 8e
CID 10271745
Imidazopyridine derivative, 7c
CID 25023748
Imidazopyridine derivative, 8f
CID 25023751
(E)-N'-((6-bromoimidazo[1,2-a]pyridin-3-yl)methylene)-N,2-dimethyl-5-nitrobenzenesulfonohydrazide hydrochloride
CID 45265864
Imidazopyridine derivative, 7a
CID 25023746
Imidazopyridine derivative, 7b
CID 25023747

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide (CID 7150783) is N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1cn2ccccc2n1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is VARRUQVPUXBGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-12-5-6-14(20(21)22)10-15(12)25(23,24)17-8-7-13-11-19-9-3-2-4-16(19)18-13/h2-6,9-11,17H,7-8H2,1H3.
What are the key properties of N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide?
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 7150783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).