4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide

C17H16N4O5S — CID 165134574

IUPAC4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cn3cc(C4CC4)ccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H16N4O5S/c18-27(24,25)16-5-4-14(7-15(16)21(22)23)26-10-13-9-20-8-12(11-1-2-11)3-6-17(20)19-13/h3-9,11H,1-2,10H2,(H2,18,24,25)
InChIKeyNNQCQMACQJQWTL-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.35
Rot. Bonds6

About 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide

4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide (PubChem CID 165134574) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide
PubChem CID165134574
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cn3cc(C4CC4)ccc3n2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H16N4O5S/c18-27(24,25)16-5-4-14(7-15(16)21(22)23)26-10-13-9-20-8-12(11-1-2-11)3-6-17(20)19-13/h3-9,11H,1-2,10H2,(H2,18,24,25)
InChIKeyNNQCQMACQJQWTL-UHFFFAOYSA-N
XLogP2.35
TPSA129.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzenesulfonamide
CID 165134449
tert-butyl N-[5-chloro-4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyloxy]-2-nitrophenyl]sulfonylcarbamate
CID 175521496
6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 4806396
ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 165130837
N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidin-4-amine
CID 165131140
(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl N-(6-chloropyrimidin-4-yl)carbamate
CID 175511413
4-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-6-methoxypyridine-2,4-diamine
CID 165133240
4-ethoxy-2-nitrobenzenesulfonyl chloride
CID 12514471
6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 165134519
1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one
CID 160893149
4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804832
(6-chloropyrimidin-4-yl) N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175511414

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide?
The IUPAC name of 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide (CID 165134574) is 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(OCc2cn3cc(C4CC4)ccc3n2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide?
The InChIKey is NNQCQMACQJQWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c18-27(24,25)16-5-4-14(7-15(16)21(22)23)26-10-13-9-20-8-12(11-1-2-11)3-6-17(20)19-13/h3-9,11H,1-2,10H2,(H2,18,24,25).
What are the key properties of 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide?
4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide has a molecular weight of 388.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-2-nitrobenzenesulfonamide is sourced from PubChem (CID 165134574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).