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

C14H13ClN4O2S — CID 110309581

IUPAC6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1ncc2ccccn12)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN4O2S/c15-13-5-4-12(10-16-13)22(20,21)18-7-6-14-17-9-11-3-1-2-8-19(11)14/h1-5,8-10,18H,6-7H2
InChIKeyHNKDKHWDWVWTJR-UHFFFAOYSA-N
MW336.80 g/mol
LogP1.90
Rot. Bonds5

About 6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide

6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide (PubChem CID 110309581) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide
PubChem CID110309581
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1ncc2ccccn12)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN4O2S/c15-13-5-4-12(10-16-13)22(20,21)18-7-6-14-17-9-11-3-1-2-8-19(11)14/h1-5,8-10,18H,6-7H2
InChIKeyHNKDKHWDWVWTJR-UHFFFAOYSA-N
XLogP1.90
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine
CID 38996985
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110292165
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112500601
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide
CID 38996983
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
CID 54944076
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-phenylmethanesulfonamide
CID 110292198
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide
CID 110630897
4-(dimethylsulfamoyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
CID 112500596
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide
CID 26948560
6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide
CID 26945524

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide (CID 110309581) is 6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide is O=S(=O)(NCCc1ncc2ccccn12)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide?
The InChIKey is HNKDKHWDWVWTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c15-13-5-4-12(10-16-13)22(20,21)18-7-6-14-17-9-11-3-1-2-8-19(11)14/h1-5,8-10,18H,6-7H2.
What are the key properties of 6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide?
6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide has a molecular weight of 336.80 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 110309581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).