N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide

C21H18ClN5O4S — CID 177245139

IUPACN-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1-c1cnc2n[nH]c(NC(C)=O)c2c1
InChIInChI=1S/C21H18ClN5O4S/c1-12(28)24-21-18-9-13(11-23-20(18)25-26-21)17-10-16(7-8-19(17)31-2)32(29,30)27-15-5-3-14(22)4-6-15/h3-11,27H,1-2H3,(H2,23,24,25,26,28)
InChIKeyODLNUTLYWBKZRG-UHFFFAOYSA-N
MW471.93 g/mol
LogP4.05
Rot. Bonds6

About N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide

N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide (PubChem CID 177245139) has the molecular formula C21H18ClN5O4S and a molecular weight of 471.93 g/mol. Its IUPAC name is N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
PubChem CID177245139
Molecular FormulaC21H18ClN5O4S
Molecular Weight471.93 g/mol
Exact Mass471.08
IUPAC NameN-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1-c1cnc2n[nH]c(NC(C)=O)c2c1
InChIInChI=1S/C21H18ClN5O4S/c1-12(28)24-21-18-9-13(11-23-20(18)25-26-21)17-10-16(7-8-19(17)31-2)32(29,30)27-15-5-3-14(22)4-6-15/h3-11,27H,1-2H3,(H2,23,24,25,26,28)
InChIKeyODLNUTLYWBKZRG-UHFFFAOYSA-N
XLogP4.05
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.93
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
CID 177245188
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
N-[3-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245122
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 108784171
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(2-fluorophenyl)-4-methoxy-3-(3-morpholin-4-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245194
N-[4-[(3,4-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 55902732
N-[5-[(3,4-difluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514306
N-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8501064

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
The IUPAC name of N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide (CID 177245139) is N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1-c1cnc2n[nH]c(NC(C)=O)c2c1.
What is the InChIKey of N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
The InChIKey is ODLNUTLYWBKZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O4S/c1-12(28)24-21-18-9-13(11-23-20(18)25-26-21)17-10-16(7-8-19(17)31-2)32(29,30)27-15-5-3-14(22)4-6-15/h3-11,27H,1-2H3,(H2,23,24,25,26,28).
What are the key properties of N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide?
N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide has a molecular weight of 471.93 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 177245139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).