2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide

C15H16ClN3O2S — CID 136541927

IUPAC2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1Cl)NC1CCc2cncn2C1
InChIInChI=1S/C15H16ClN3O2S/c16-15-4-2-1-3-12(15)7-8-22(20,21)18-13-5-6-14-9-17-11-19(14)10-13/h1-4,7-9,11,13,18H,5-6,10H2
InChIKeyJMMFSGBSMBRTPY-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.44
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide

2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide (PubChem CID 136541927) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide
PubChem CID136541927
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1Cl)NC1CCc2cncn2C1
InChIInChI=1S/C15H16ClN3O2S/c16-15-4-2-1-3-12(15)7-8-22(20,21)18-13-5-6-14-9-17-11-19(14)10-13/h1-4,7-9,11,13,18H,5-6,10H2
InChIKeyJMMFSGBSMBRTPY-UHFFFAOYSA-N
XLogP2.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide (CID 136541927) is 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide is O=S(=O)(C=Cc1ccccc1Cl)NC1CCc2cncn2C1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide?
The InChIKey is JMMFSGBSMBRTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-15-4-2-1-3-12(15)7-8-22(20,21)18-13-5-6-14-9-17-11-19(14)10-13/h1-4,7-9,11,13,18H,5-6,10H2.
What are the key properties of 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide?
2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide has a molecular weight of 337.83 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)ethenesulfonamide is sourced from PubChem (CID 136541927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).