N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide

C22H21ClN4O4S — CID 50838835

IUPACN-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2cnn3c(C)cc(C)nc23)ccc1OC
InChIInChI=1S/C22H21ClN4O4S/c1-13-9-14(2)27-22(25-13)17(12-24-27)15-5-7-20(31-4)21(10-15)32(28,29)26-18-11-16(23)6-8-19(18)30-3/h5-12,26H,1-4H3
InChIKeyXTBBCIOIHZDVGT-UHFFFAOYSA-N
MW472.95 g/mol
LogP4.48
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide (PubChem CID 50838835) has the molecular formula C22H21ClN4O4S and a molecular weight of 472.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
PubChem CID50838835
Molecular FormulaC22H21ClN4O4S
Molecular Weight472.95 g/mol
Exact Mass472.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2cnn3c(C)cc(C)nc23)ccc1OC
InChIInChI=1S/C22H21ClN4O4S/c1-13-9-14(2)27-22(25-13)17(12-24-27)15-5-7-20(31-4)21(10-15)32(28,29)26-18-11-16(23)6-8-19(18)30-3/h5-12,26H,1-4H3
InChIKeyXTBBCIOIHZDVGT-UHFFFAOYSA-N
XLogP4.48
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 46394920
5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 46394970
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-(2,4-difluorophenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 46394915
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
CID 50838625
N-[(3,4-diethoxyphenyl)methyl]-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzenesulfonamide
CID 50838627
5-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methoxybenzenesulfonamide
CID 108783338
N-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 47177541
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide (CID 50838835) is N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2cnn3c(C)cc(C)nc23)ccc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide?
The InChIKey is XTBBCIOIHZDVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4S/c1-13-9-14(2)27-22(25-13)17(12-24-27)15-5-7-20(31-4)21(10-15)32(28,29)26-18-11-16(23)6-8-19(18)30-3/h5-12,26H,1-4H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide has a molecular weight of 472.95 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 50838835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).