N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide

C21H20N4O5S — CID 177245152

IUPACN-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OCCO)cc1-c1cnc2[nH]ncc2c1
InChIInChI=1S/C21H20N4O5S/c1-29-19-7-6-16(11-17(19)14-10-15-13-23-24-21(15)22-12-14)31(27,28)25-18-4-2-3-5-20(18)30-9-8-26/h2-7,10-13,25-26H,8-9H2,1H3,(H,22,23,24)
InChIKeyMLCOFJAICKNCHB-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.81
Rot. Bonds8

About N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide

N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide (PubChem CID 177245152) has the molecular formula C21H20N4O5S and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
PubChem CID177245152
Molecular FormulaC21H20N4O5S
Molecular Weight440.48 g/mol
Exact Mass440.12
IUPAC NameN-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OCCO)cc1-c1cnc2[nH]ncc2c1
InChIInChI=1S/C21H20N4O5S/c1-29-19-7-6-16(11-17(19)14-10-15-13-23-24-21(15)22-12-14)31(27,28)25-18-4-2-3-5-20(18)30-9-8-26/h2-7,10-13,25-26H,8-9H2,1H3,(H,22,23,24)
InChIKeyMLCOFJAICKNCHB-UHFFFAOYSA-N
XLogP2.81
TPSA126.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide 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-[3-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245122
N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735
3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
3-(1H-indazol-5-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 177245163
N-[5-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]acetamide
CID 177245188
N-(2-fluorophenyl)-4-methoxy-3-(3-morpholin-4-yl-1H-pyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 177245194
3,4-diethoxy-N-(1H-indazol-7-yl)benzenesulfonamide
CID 24654006
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61248809
N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 47784339

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide (CID 177245152) is N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2OCCO)cc1-c1cnc2[nH]ncc2c1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
The InChIKey is MLCOFJAICKNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5S/c1-29-19-7-6-16(11-17(19)14-10-15-13-23-24-21(15)22-12-14)31(27,28)25-18-4-2-3-5-20(18)30-9-8-26/h2-7,10-13,25-26H,8-9H2,1H3,(H,22,23,24).
What are the key properties of N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide?
N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide has a molecular weight of 440.48 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)phenyl]-4-methoxy-3-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 177245152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).