N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide

C22H21N3O2S — CID 90570380

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cnc3ccccn23)c2ccccc2)cc1C
InChIInChI=1S/C22H21N3O2S/c1-17-11-12-21(14-18(17)2)28(26,27)25(19-8-4-3-5-9-19)16-20-15-23-22-10-6-7-13-24(20)22/h3-15H,16H2,1-2H3
InChIKeyUQJWJFMUJMYBBY-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.35
Rot. Bonds5

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide (PubChem CID 90570380) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
PubChem CID90570380
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cnc3ccccn23)c2ccccc2)cc1C
InChIInChI=1S/C22H21N3O2S/c1-17-11-12-21(14-18(17)2)28(26,27)25(19-8-4-3-5-9-19)16-20-15-23-22-10-6-7-13-24(20)22/h3-15H,16H2,1-2H3
InChIKeyUQJWJFMUJMYBBY-UHFFFAOYSA-N
XLogP4.35
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylpyridine-3-sulfonamide
CID 90570374
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylcyclohexanesulfonamide
CID 90570427
5-chloro-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-methylbenzenesulfonamide
CID 90570746
N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 17458263
N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 38868903
N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 60604204
3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 90570747
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide
CID 131897855
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea
CID 90570353
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide
CID 90570764
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide (CID 90570380) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cnc3ccccn23)c2ccccc2)cc1C.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
The InChIKey is UQJWJFMUJMYBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-17-11-12-21(14-18(17)2)28(26,27)25(19-8-4-3-5-9-19)16-20-15-23-22-10-6-7-13-24(20)22/h3-15H,16H2,1-2H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide has a molecular weight of 391.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 90570380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).