N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide

C16H16N4O4S — CID 7150797

IUPACN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide
SMILESCc1cccn2cc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C16H16N4O4S/c1-12-4-3-9-19-11-13(18-16(12)19)7-8-17-25(23,24)15-6-2-5-14(10-15)20(21)22/h2-6,9-11,17H,7-8H2,1H3
InChIKeyZJTZALVQOHLTSD-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.07
Rot. Bonds6

About N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide

N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide (PubChem CID 7150797) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide
PubChem CID7150797
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC NameN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide
SMILESCc1cccn2cc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)nc12
InChIInChI=1S/C16H16N4O4S/c1-12-4-3-9-19-11-13(18-16(12)19)7-8-17-25(23,24)15-6-2-5-14(10-15)20(21)22/h2-6,9-11,17H,7-8H2,1H3
InChIKeyZJTZALVQOHLTSD-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

1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-4-sulfonamide
CID 71982158
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710
5-chloro-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]thiophene-2-sulfonamide
CID 7150805
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 16962560
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 3367442
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110320363
N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-nitrobenzenesulfonamide
CID 27543145
3-nitro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721155
3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 2952489
3-nitro-N-octylbenzenesulfonamide
CID 19681347
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methylpyrimidin-5-yl)benzenesulfonamide
CID 171909142
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitrobenzenesulfonamide
CID 110717463

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide (CID 7150797) is N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide is Cc1cccn2cc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)nc12.
What is the InChIKey of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide?
The InChIKey is ZJTZALVQOHLTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-12-4-3-9-19-11-13(18-16(12)19)7-8-17-25(23,24)15-6-2-5-14(10-15)20(21)22/h2-6,9-11,17H,7-8H2,1H3.
What are the key properties of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide?
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-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-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 7150797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).