N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide

C17H19N3O2S — CID 110292198

IUPACN-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCCc1ncc2ccccn12
InChIInChI=1S/C17H19N3O2S/c21-23(22,14-15-7-2-1-3-8-15)19-11-6-10-17-18-13-16-9-4-5-12-20(16)17/h1-5,7-9,12-13,19H,6,10-11,14H2
InChIKeyKCEQNVZWHCHYBW-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.39
Rot. Bonds7

About N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide

N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide (PubChem CID 110292198) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide
PubChem CID110292198
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCCc1ncc2ccccn12
InChIInChI=1S/C17H19N3O2S/c21-23(22,14-15-7-2-1-3-8-15)19-11-6-10-17-18-13-16-9-4-5-12-20(16)17/h1-5,7-9,12-13,19H,6,10-11,14H2
InChIKeyKCEQNVZWHCHYBW-UHFFFAOYSA-N
XLogP2.39
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide
CID 110292199
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112500601
3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine
CID 38996985
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2,2-diphenylacetamide
CID 112500611
2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide
CID 38996983
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide
CID 110630897
6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 110309581
3-(4-fluorophenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)propanamide
CID 110630927
3-(4-chlorophenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-2-methylpropanamide
CID 110309721
1-butan-2-yl-3-(3-imidazo[1,5-a]pyridin-3-ylpropyl)urea
CID 110630952
N-(3-iodopropyl)-1-phenylmethanesulfonamide
CID 114504628
N-(3-bromopropyl)-1-phenylmethanesulfonamide
CID 43133750

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide (CID 110292198) is N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NCCCc1ncc2ccccn12.
What is the InChIKey of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide?
The InChIKey is KCEQNVZWHCHYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-23(22,14-15-7-2-1-3-8-15)19-11-6-10-17-18-13-16-9-4-5-12-20(16)17/h1-5,7-9,12-13,19H,6,10-11,14H2.
What are the key properties of N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide?
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 110292198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).