N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide

C22H22ClN5O2S — CID 71025583

IUPACN-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2ncc3ncccc32)cc1)N(C)C
InChIInChI=1S/C22H22ClN5O2S/c1-15(27(2)3)16-6-9-18(10-7-16)31(29,30)26-19-11-8-17(23)13-22(19)28-21-5-4-12-24-20(21)14-25-28/h4-15,26H,1-3H3
InChIKeyRNINQFYWIBNPNF-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.50
Rot. Bonds6

About N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide

N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 71025583) has the molecular formula C22H22ClN5O2S and a molecular weight of 455.97 g/mol. Its IUPAC name is N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID71025583
Molecular FormulaC22H22ClN5O2S
Molecular Weight455.97 g/mol
Exact Mass455.12
IUPAC NameN-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2ncc3ncccc32)cc1)N(C)C
InChIInChI=1S/C22H22ClN5O2S/c1-15(27(2)3)16-6-9-18(10-7-16)31(29,30)26-19-11-8-17(23)13-22(19)28-21-5-4-12-24-20(21)14-25-28/h4-15,26H,1-3H3
InChIKeyRNINQFYWIBNPNF-UHFFFAOYSA-N
XLogP4.50
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-(4-chloro-2-pyrrolo[3,2-b]pyridin-1-ylphenyl)benzenesulfonamide
CID 25134984
4-acetyl-N-[4-chloro-2-(triazolo[4,5-b]pyridin-1-yl)phenyl]benzenesulfonamide;4-(1-aminoethyl)-N-[4-chloro-2-(triazolo[4,5-b]pyridin-1-yl)phenyl]benzenesulfonamide
CID 159849168
4-tert-butyl-N-[4-chloro-2-(triazolo[4,5-b]pyridin-1-yl)phenyl]benzenesulfonamide
CID 25134921
N-[4-chloro-2-(triazolo[4,5-b]pyridin-1-yl)phenyl]-4-[(Z)-N-methoxy-C-methylcarbonimidoyl]benzenesulfonamide
CID 59428149
4-tert-butyl-N-(4-chloro-2-imidazo[4,5-c]pyridin-1-ylphenyl)benzenesulfonamide
CID 25134925
N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide
CID 154034455
N-[4-chloro-2-(triazolo[4,5-b]pyridin-1-yl)phenyl]-3-fluoro-4-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 25135283
N-[4-chloro-2-(triazolo[4,5-b]pyridin-1-yl)phenyl]-4-[(Z)-C-methyl-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]benzenesulfonamide
CID 59428126
N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide
CID 154034454
4-tert-butyl-N-[4-chloro-2-(4,5-dimethyltriazol-1-yl)phenyl]benzenesulfonamide
CID 143780453
methyl 4-[[4-chloro-2-(triazolo[4,5-b]pyridin-1-yl)phenyl]sulfamoyl]-2-isocyanobenzoate
CID 59428124
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134743

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide (CID 71025583) is N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide is CC(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2ncc3ncccc32)cc1)N(C)C.
What is the InChIKey of N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is RNINQFYWIBNPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2S/c1-15(27(2)3)16-6-9-18(10-7-16)31(29,30)26-19-11-8-17(23)13-22(19)28-21-5-4-12-24-20(21)14-25-28/h4-15,26H,1-3H3.
What are the key properties of N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide?
N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 455.97 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 71025583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).