N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide

C22H22N4O2S — CID 22203069

IUPACN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide
SMILESCc1ccc(Cn2nc(C)c(NS(=O)(=O)c3cccc4cccnc34)c2C)cc1
InChIInChI=1S/C22H22N4O2S/c1-15-9-11-18(12-10-15)14-26-17(3)21(16(2)24-26)25-29(27,28)20-8-4-6-19-7-5-13-23-22(19)20/h4-13,25H,14H2,1-3H3
InChIKeyAHFBOYGGMSGHKJ-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.21
Rot. Bonds5

About N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide

N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide (PubChem CID 22203069) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide
PubChem CID22203069
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide
SMILESCc1ccc(Cn2nc(C)c(NS(=O)(=O)c3cccc4cccnc34)c2C)cc1
InChIInChI=1S/C22H22N4O2S/c1-15-9-11-18(12-10-15)14-26-17(3)21(16(2)24-26)25-29(27,28)20-8-4-6-19-7-5-13-23-22(19)20/h4-13,25H,14H2,1-3H3
InChIKeyAHFBOYGGMSGHKJ-UHFFFAOYSA-N
XLogP4.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
CID 22202436
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-8-sulfonamide
CID 22206350
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)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22202444
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide
CID 22201715
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22203047
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22202446
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide (CID 22203069) is N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide is Cc1ccc(Cn2nc(C)c(NS(=O)(=O)c3cccc4cccnc34)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide?
The InChIKey is AHFBOYGGMSGHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-15-9-11-18(12-10-15)14-26-17(3)21(16(2)24-26)25-29(27,28)20-8-4-6-19-7-5-13-23-22(19)20/h4-13,25H,14H2,1-3H3.
What are the key properties of N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide?
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide has a molecular weight of 406.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 22203069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).