N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide

C21H20N4O2S — CID 22202436

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C21H20N4O2S/c1-15-20(16(2)25(23-15)14-17-8-4-3-5-9-17)24-28(26,27)19-12-6-10-18-11-7-13-22-21(18)19/h3-13,24H,14H2,1-2H3
InChIKeyCKADRWQYVWAJOJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.90
Rot. Bonds5

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide (PubChem CID 22202436) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
PubChem CID22202436
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C21H20N4O2S/c1-15-20(16(2)25(23-15)14-17-8-4-3-5-9-17)24-28(26,27)19-12-6-10-18-11-7-13-22-21(18)19/h3-13,24H,14H2,1-2H3
InChIKeyCKADRWQYVWAJOJ-UHFFFAOYSA-N
XLogP3.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide
CID 22203069
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-8-sulfonamide
CID 22206350
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22202444
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22202446
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide
CID 22201794
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide
CID 140579955
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
CID 35524432
1-benzyl-N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 58565564
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
CID 22202442

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide (CID 22202436) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide is Cc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide?
The InChIKey is CKADRWQYVWAJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15-20(16(2)25(23-15)14-17-8-4-3-5-9-17)24-28(26,27)19-12-6-10-18-11-7-13-22-21(18)19/h3-13,24H,14H2,1-2H3.
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 22202436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).