N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide

C21H20N4O2S — CID 170395582

IUPACN-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
SMILESCc1cc(C)c(-n2nc(NS(=O)(=O)c3ccccc3)c3cccnc32)c(C)c1
InChIInChI=1S/C21H20N4O2S/c1-14-12-15(2)19(16(3)13-14)25-21-18(10-7-11-22-21)20(23-25)24-28(26,27)17-8-5-4-6-9-17/h4-13H,1-3H3,(H,23,24)
InChIKeyQJANJOUXDGEYKP-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.15
Rot. Bonds4

About N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide

N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide (PubChem CID 170395582) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
PubChem CID170395582
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
SMILESCc1cc(C)c(-n2nc(NS(=O)(=O)c3ccccc3)c3cccnc32)c(C)c1
InChIInChI=1S/C21H20N4O2S/c1-14-12-15(2)19(16(3)13-14)25-21-18(10-7-11-22-21)20(23-25)24-28(26,27)17-8-5-4-6-9-17/h4-13H,1-3H3,(H,23,24)
InChIKeyQJANJOUXDGEYKP-UHFFFAOYSA-N
XLogP4.15
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-bromo-1-(3,5-dimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide
CID 170397534
N-[4-prop-1-en-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 163248619
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
N-(3-benzyl-4-methyl-2-pyridinyl)benzenesulfonamide
CID 140579946
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide
CID 137396760
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129
N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051884
4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide
CID 135578059
1-(3-chlorophenyl)-N-phenylpyrazolo[5,4-b]pyridin-3-amine
CID 162402105

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide (CID 170395582) is N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide is Cc1cc(C)c(-n2nc(NS(=O)(=O)c3ccccc3)c3cccnc32)c(C)c1.
What is the InChIKey of N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide?
The InChIKey is QJANJOUXDGEYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14-12-15(2)19(16(3)13-14)25-21-18(10-7-11-22-21)20(23-25)24-28(26,27)17-8-5-4-6-9-17/h4-13H,1-3H3,(H,23,24).
What are the key properties of N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide?
N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 170395582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).