N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide

C19H16ClN5O3S — CID 134367287

IUPACN-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4[nH]nc(N)c4n3)c(Cl)c2)cc1
InChIInChI=1S/C19H16ClN5O3S/c1-28-12-3-5-13(6-4-12)29(26,27)25-11-2-7-14(15(20)10-11)16-8-9-17-18(22-16)19(21)24-23-17/h2-10,25H,1H3,(H3,21,23,24)
InChIKeyKADZLKXOZBNGPK-UHFFFAOYSA-N
MW429.89 g/mol
LogP3.67
Rot. Bonds5

About N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide

N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide (PubChem CID 134367287) has the molecular formula C19H16ClN5O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide
PubChem CID134367287
Molecular FormulaC19H16ClN5O3S
Molecular Weight429.89 g/mol
Exact Mass429.07
IUPAC NameN-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4[nH]nc(N)c4n3)c(Cl)c2)cc1
InChIInChI=1S/C19H16ClN5O3S/c1-28-12-3-5-13(6-4-12)29(26,27)25-11-2-7-14(15(20)10-11)16-8-9-17-18(22-16)19(21)24-23-17/h2-10,25H,1H3,(H3,21,23,24)
InChIKeyKADZLKXOZBNGPK-UHFFFAOYSA-N
XLogP3.67
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 134367091
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
N-[4-(7-amino-5H-pyrrolo[3,4-b]pyridin-2-yl)-3-chlorophenyl]-3,4-dimethoxybenzenesulfonamide
CID 157115318
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
5-[4-(azetidin-1-yl-imino-methylidene-λ6-sulfanyl)-2-methylphenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 163943791
N-(4-amino-3-nitrophenyl)-4-methoxybenzenesulfonamide
CID 27993402
N-(4-amino-3,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24563955
4-(5-amino-4-bromo-6-chlorobenzotriazol-2-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 91679890
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxybenzenesulfonamide
CID 7483109
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide (CID 134367287) is N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4[nH]nc(N)c4n3)c(Cl)c2)cc1.
What is the InChIKey of N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide?
The InChIKey is KADZLKXOZBNGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3S/c1-28-12-3-5-13(6-4-12)29(26,27)25-11-2-7-14(15(20)10-11)16-8-9-17-18(22-16)19(21)24-23-17/h2-10,25H,1H3,(H3,21,23,24).
What are the key properties of N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide?
N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide has a molecular weight of 429.89 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chlorophenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 134367287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).