5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide

C21H20N4O3S — CID 46394970

IUPAC5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2cnn3c(C)cc(C)nc23)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C21H20N4O3S/c1-14-11-15(2)25-21(23-14)18(13-22-25)16-9-10-19(28-3)20(12-16)29(26,27)24-17-7-5-4-6-8-17/h4-13,24H,1-3H3
InChIKeyKOCPMDDCLKSASG-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.82
Rot. Bonds5

About 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide

5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide (PubChem CID 46394970) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide
PubChem CID46394970
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2cnn3c(C)cc(C)nc23)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C21H20N4O3S/c1-14-11-15(2)25-21(23-14)18(13-22-25)16-9-10-19(28-3)20(12-16)29(26,27)24-17-7-5-4-6-8-17/h4-13,24H,1-3H3
InChIKeyKOCPMDDCLKSASG-UHFFFAOYSA-N
XLogP3.82
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide 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-chloro-6-methylphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
CID 46394961
N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
CID 50838835
5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 46394947
N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 46394920
N-[(3,4-diethoxyphenyl)methyl]-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 50838627
N-[(3-chlorophenyl)methyl]-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 50838604
2-methoxy-N-(4-methoxyphenyl)-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098161
3-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255771
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338
N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4304394
2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 50804369

Frequently Asked Questions

What is the IUPAC name of 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide (CID 46394970) is 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide is COc1ccc(-c2cnn3c(C)cc(C)nc23)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is KOCPMDDCLKSASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-14-11-15(2)25-21(23-14)18(13-22-25)16-9-10-19(28-3)20(12-16)29(26,27)24-17-7-5-4-6-8-17/h4-13,24H,1-3H3.
What are the key properties of 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide?
5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 46394970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).