N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide

C17H19N3O3S — CID 176509409

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide
SMILESCOc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc3nccn3c2)cc1
InChIInChI=1S/C17H19N3O3S/c1-13(14-4-6-15(23-3)7-5-14)19(2)24(21,22)16-8-9-17-18-10-11-20(17)12-16/h4-13H,1-3H3/t13-/m0/s1
InChIKeyNUITTWXKNRXLBN-ZDUSSCGKSA-N
MW345.42 g/mol
LogP2.72
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide (PubChem CID 176509409) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide
PubChem CID176509409
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide
SMILESCOc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc3nccn3c2)cc1
InChIInChI=1S/C17H19N3O3S/c1-13(14-4-6-15(23-3)7-5-14)19(2)24(21,22)16-8-9-17-18-10-11-20(17)12-16/h4-13H,1-3H3/t13-/m0/s1
InChIKeyNUITTWXKNRXLBN-ZDUSSCGKSA-N
XLogP2.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-7-sulfonamide
CID 176509400
4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide
CID 110734809
4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 71862788
N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 51278432
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 47137196
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
4-methoxy-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzenesulfonamide
CID 66689067
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47268286

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide (CID 176509409) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide is COc1ccc([C@H](C)N(C)S(=O)(=O)c2ccc3nccn3c2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide?
The InChIKey is NUITTWXKNRXLBN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13(14-4-6-15(23-3)7-5-14)19(2)24(21,22)16-8-9-17-18-10-11-20(17)12-16/h4-13H,1-3H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-methylimidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 176509409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).