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

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).