N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide

C20H18N4O3S — CID 6494237

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C20H18N4O3S/c1-14-7-8-18(27-2)19(11-14)28(25,26)23-16-6-3-5-15(12-16)17-13-24-10-4-9-21-20(24)22-17/h3-13,23H,1-2H3
InChIKeyLHQRIONPLPPYNC-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.51
Rot. Bonds5

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 6494237) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID6494237
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C20H18N4O3S/c1-14-7-8-18(27-2)19(11-14)28(25,26)23-16-6-3-5-15(12-16)17-13-24-10-4-9-21-20(24)22-17/h3-13,23H,1-2H3
InChIKeyLHQRIONPLPPYNC-UHFFFAOYSA-N
XLogP3.51
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{2-[5-(4-methoxyphenyl)-2-(pyridin-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825357
N-{2-[5-(4-methoxyphenyl)-2-(pyrazin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825359
1-(2-Ethoxy-5-methylphenyl)sulfonylbenzimidazole
CID 850116
(2-(2-Methoxyphenyl)-7-methyl-5-phenylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11638762
4-(4-(4-Methoxyphenyl)pyrimidin-2-ylamino)benzenesulfonamide
CID 11667571
4-cyano-N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 24985568
4-[[[3-(3-Methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25206490
N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940069
4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 57399413
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
CID 58149816

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 6494237) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is LHQRIONPLPPYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-14-7-8-18(27-2)19(11-14)28(25,26)23-16-6-3-5-15(12-16)17-13-24-10-4-9-21-20(24)22-17/h3-13,23H,1-2H3.
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 6494237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).