N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide

C20H19N5O2S — CID 71526403

IUPACN-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1
InChIInChI=1S/C20H19N5O2S/c1-13-5-3-6-14(2)18(13)25-28(26,27)16-10-8-15(9-11-16)22-20-19-17(23-24-20)7-4-12-21-19/h3-12,25H,1-2H3,(H2,22,23,24)
InChIKeyJBTWCSMGGHMLAX-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.12
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide

N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide (PubChem CID 71526403) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide
PubChem CID71526403
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1
InChIInChI=1S/C20H19N5O2S/c1-13-5-3-6-14(2)18(13)25-28(26,27)16-10-8-15(9-11-16)22-20-19-17(23-24-20)7-4-12-21-19/h3-12,25H,1-2H3,(H2,22,23,24)
InChIKeyJBTWCSMGGHMLAX-UHFFFAOYSA-N
XLogP4.12
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)phenyl]acetamide
CID 123833221
2-chloro-4-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-N-pyridin-2-ylbenzene-1,4-diamine
CID 118311727
1-N-cyclobutyl-1-N,3-dimethyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine
CID 134191559
N-(1-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198363
N-[4-methyl-3-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134197885
N-(2-tert-butyl-3-methylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198120
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 162674851
1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea
CID 53373996
1-chloro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine
CID 134191539
N-(3-methyl-2-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 62149767
N-(1-cyclobutyl-3-methylpyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134192202

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide (CID 71526403) is N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(Nc2n[nH]c3cccnc23)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide?
The InChIKey is JBTWCSMGGHMLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-13-5-3-6-14(2)18(13)25-28(26,27)16-10-8-15(9-11-16)22-20-19-17(23-24-20)7-4-12-21-19/h3-12,25H,1-2H3,(H2,22,23,24).
What are the key properties of N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide?
N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 71526403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).