N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide

C22H21N3O2S — CID 983406

IUPACN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(C)c1
InChIInChI=1S/C22H21N3O2S/c1-15-12-16(2)22(17(3)13-15)28(26,27)24-19-9-7-18(8-10-19)20-14-25-11-5-4-6-21(25)23-20/h4-14,24H,1-3H3
InChIKeyZUIQMJCRKYLAAW-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.73
Rot. Bonds4

About N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 983406) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID983406
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(C)c1
InChIInChI=1S/C22H21N3O2S/c1-15-12-16(2)22(17(3)13-15)28(26,27)24-19-9-7-18(8-10-19)20-14-25-11-5-4-6-21(25)23-20/h4-14,24H,1-3H3
InChIKeyZUIQMJCRKYLAAW-UHFFFAOYSA-N
XLogP4.73
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide (CID 983406) is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)c(C)c1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is ZUIQMJCRKYLAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-15-12-16(2)22(17(3)13-15)28(26,27)24-19-9-7-18(8-10-19)20-14-25-11-5-4-6-21(25)23-20/h4-14,24H,1-3H3.
What are the key properties of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide?
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 391.50 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 983406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).