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

C23H24N4O4S — CID 46394920

IUPACN-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cnn4c(C)cc(C)nc34)ccc2C)c1
InChIInChI=1S/C23H24N4O4S/c1-14-6-7-17(19-13-24-27-16(3)10-15(2)25-23(19)27)11-22(14)32(28,29)26-20-12-18(30-4)8-9-21(20)31-5/h6-13,26H,1-5H3
InChIKeyRTMUPMCEYIDWJU-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.14
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide (PubChem CID 46394920) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
PubChem CID46394920
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cnn4c(C)cc(C)nc34)ccc2C)c1
InChIInChI=1S/C23H24N4O4S/c1-14-6-7-17(19-13-24-27-16(3)10-15(2)25-23(19)27)11-22(14)32(28,29)26-20-12-18(30-4)8-9-21(20)31-5/h6-13,26H,1-5H3
InChIKeyRTMUPMCEYIDWJU-UHFFFAOYSA-N
XLogP4.14
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-phenylbenzenesulfonamide
CID 46394970
N-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 46394915
N-(2-chloro-6-methylphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
CID 46394961
5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 46394947
N-(2,5-dimethoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958930
N-[(3,4-diethoxyphenyl)methyl]-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 50838627
ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
CID 50838625
N-(2,5-dimethoxyphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913991
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide
CID 21367365
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide (CID 46394920) is N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3cnn4c(C)cc(C)nc34)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide?
The InChIKey is RTMUPMCEYIDWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-14-6-7-17(19-13-24-27-16(3)10-15(2)25-23(19)27)11-22(14)32(28,29)26-20-12-18(30-4)8-9-21(20)31-5/h6-13,26H,1-5H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide?
N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 46394920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).