N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide

C18H21N3O2S — CID 112500601

IUPACN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCc1ncc2ccccn12
InChIInChI=1S/C18H21N3O2S/c22-24(23,14-6-9-16-7-2-1-3-8-16)20-12-11-18-19-15-17-10-4-5-13-21(17)18/h1-5,7-8,10,13,15,20H,6,9,11-12,14H2
InChIKeyRCBORVJJXJCEFO-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.43
Rot. Bonds8

About N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide

N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide (PubChem CID 112500601) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
PubChem CID112500601
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCc1ncc2ccccn12
InChIInChI=1S/C18H21N3O2S/c22-24(23,14-6-9-16-7-2-1-3-8-16)20-12-11-18-19-15-17-10-4-5-13-21(17)18/h1-5,7-8,10,13,15,20H,6,9,11-12,14H2
InChIKeyRCBORVJJXJCEFO-UHFFFAOYSA-N
XLogP2.43
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide
CID 110292198
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
3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine
CID 38996985
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide
CID 110292199
6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 110309581
3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
CID 110717616
2-(2-fluorophenyl)-N-(imidazo[1,5-a]pyridin-3-ylmethyl)ethanesulfonamide
CID 110416171
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110292165
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
CID 140993552
3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 110720119

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide (CID 112500601) is N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCCc1ncc2ccccn12.
What is the InChIKey of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide?
The InChIKey is RCBORVJJXJCEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-24(23,14-6-9-16-7-2-1-3-8-16)20-12-11-18-19-15-17-10-4-5-13-21(17)18/h1-5,7-8,10,13,15,20H,6,9,11-12,14H2.
What are the key properties of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide?
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 112500601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).