N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide

C20H17BrN4O2S — CID 170397534

IUPACN-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
SMILESCc1cc(C)cc(-n2nc(NS(=O)(=O)c3ccccc3)c3cc(Br)cnc32)c1
InChIInChI=1S/C20H17BrN4O2S/c1-13-8-14(2)10-16(9-13)25-20-18(11-15(21)12-22-20)19(23-25)24-28(26,27)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,23,24)
InChIKeyUORDDKLNSJBZMF-UHFFFAOYSA-N
MW457.35 g/mol
LogP4.60
Rot. Bonds4

About N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide

N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide (PubChem CID 170397534) has the molecular formula C20H17BrN4O2S and a molecular weight of 457.35 g/mol. Its IUPAC name is N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
PubChem CID170397534
Molecular FormulaC20H17BrN4O2S
Molecular Weight457.35 g/mol
Exact Mass456.03
IUPAC NameN-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
SMILESCc1cc(C)cc(-n2nc(NS(=O)(=O)c3ccccc3)c3cc(Br)cnc32)c1
InChIInChI=1S/C20H17BrN4O2S/c1-13-8-14(2)10-16(9-13)25-20-18(11-15(21)12-22-20)19(23-25)24-28(26,27)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,23,24)
InChIKeyUORDDKLNSJBZMF-UHFFFAOYSA-N
XLogP4.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
CID 170395582
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide
CID 66800730
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
4-bromo-N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25047150
4-methoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 108780976
N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide
CID 135578059
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]benzenesulfonamide
CID 25342658

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide (CID 170397534) is N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide is Cc1cc(C)cc(-n2nc(NS(=O)(=O)c3ccccc3)c3cc(Br)cnc32)c1.
What is the InChIKey of N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide?
The InChIKey is UORDDKLNSJBZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2S/c1-13-8-14(2)10-16(9-13)25-20-18(11-15(21)12-22-20)19(23-25)24-28(26,27)17-6-4-3-5-7-17/h3-12H,1-2H3,(H,23,24).
What are the key properties of N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide?
N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide has a molecular weight of 457.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 170397534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).