N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide

C25H19FN4O2S — CID 141025517

IUPACN-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)c1ccnc2c1cnn2-c1ccccc1
InChIInChI=1S/C25H19FN4O2S/c26-20-11-13-22(14-12-20)33(31,32)29(18-19-7-3-1-4-8-19)24-15-16-27-25-23(24)17-28-30(25)21-9-5-2-6-10-21/h1-17H,18H2
InChIKeyHCFXPKYNPKMSOY-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.96
Rot. Bonds6

About N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide

N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide (PubChem CID 141025517) has the molecular formula C25H19FN4O2S and a molecular weight of 458.52 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide
PubChem CID141025517
Molecular FormulaC25H19FN4O2S
Molecular Weight458.52 g/mol
Exact Mass458.12
IUPAC NameN-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)c1ccnc2c1cnn2-c1ccccc1
InChIInChI=1S/C25H19FN4O2S/c26-20-11-13-22(14-12-20)33(31,32)29(18-19-7-3-1-4-8-19)24-15-16-27-25-23(24)17-28-30(25)21-9-5-2-6-10-21/h1-17H,18H2
InChIKeyHCFXPKYNPKMSOY-UHFFFAOYSA-N
XLogP4.96
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 22322147
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10186703
N-benzyl-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylpropanamide
CID 16882698
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-benzyl-4-fluoro-N-pyridin-1-ium-2-ylbenzenesulfonamide
CID 3619057
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-(2-phenylphenyl)benzenesulfonamide
CID 121231398
N-benzyl-4-methyl-N-(3-methyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 132849370
N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide
CID 91359794
N-(3,5-dichloro-2-pyridinyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 141280137
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 17398702
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide (CID 141025517) is N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)c1ccnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide?
The InChIKey is HCFXPKYNPKMSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2S/c26-20-11-13-22(14-12-20)33(31,32)29(18-19-7-3-1-4-8-19)24-15-16-27-25-23(24)17-28-30(25)21-9-5-2-6-10-21/h1-17H,18H2.
What are the key properties of N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide?
N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide has a molecular weight of 458.52 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N-(1-phenylpyrazolo[3,4-b]pyridin-4-yl)benzenesulfonamide is sourced from PubChem (CID 141025517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).