N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide

C20H15Cl2N3O2S — CID 57378281

IUPACN-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1nc2ccc(Cl)cn2c1Cl
InChIInChI=1S/C20H15Cl2N3O2S/c21-16-11-12-18-23-20(19(22)24(18)14-16)25(13-15-7-3-1-4-8-15)28(26,27)17-9-5-2-6-10-17/h1-12,14H,13H2
InChIKeyCEBBXEAXPNJJGS-UHFFFAOYSA-N
MW432.33 g/mol
LogP5.04
Rot. Bonds5

About N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide

N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide (PubChem CID 57378281) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide
PubChem CID57378281
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC NameN-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1nc2ccc(Cl)cn2c1Cl
InChIInChI=1S/C20H15Cl2N3O2S/c21-16-11-12-18-23-20(19(22)24(18)14-16)25(13-15-7-3-1-4-8-15)28(26,27)17-9-5-2-6-10-17/h1-12,14H,13H2
InChIKeyCEBBXEAXPNJJGS-UHFFFAOYSA-N
XLogP5.04
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide (CID 57378281) is N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1nc2ccc(Cl)cn2c1Cl.
What is the InChIKey of N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide?
The InChIKey is CEBBXEAXPNJJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c21-16-11-12-18-23-20(19(22)24(18)14-16)25(13-15-7-3-1-4-8-15)28(26,27)17-9-5-2-6-10-17/h1-12,14H,13H2.
What are the key properties of N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide?
N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide has a molecular weight of 432.33 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)benzenesulfonamide is sourced from PubChem (CID 57378281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).