4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide

C21H20N4O3S — CID 108783992

IUPAC4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C21H20N4O3S/c1-14-12-20(22-19-7-5-4-6-18(14)19)25-21(13-15(2)23-25)24-29(26,27)17-10-8-16(28-3)9-11-17/h4-13,24H,1-3H3
InChIKeyMMWRQFZUEZTHRO-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.85
Rot. Bonds5

About 4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide

4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 108783992) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
PubChem CID108783992
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C21H20N4O3S/c1-14-12-20(22-19-7-5-4-6-18(14)19)25-21(13-15(2)23-25)24-29(26,27)17-10-8-16(28-3)9-11-17/h4-13,24H,1-3H3
InChIKeyMMWRQFZUEZTHRO-UHFFFAOYSA-N
XLogP3.85
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108747214
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
2-(3,5-dimethylpyrazol-1-yl)-7-methoxy-4-methylquinoline
CID 3683269
4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783943
1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea
CID 108747189
5-methyl-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]furan-2-carboxamide
CID 108747229
2-(4-methoxyphenyl)sulfonyl-4-methylquinoline
CID 71371296
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide
CID 108784037
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide
CID 108781451
methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 138994557
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-4-methoxybenzenesulfonamide
CID 122310436
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide (CID 108783992) is 4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cc(C)c3ccccc3n2)cc1.
What is the InChIKey of 4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is MMWRQFZUEZTHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-14-12-20(22-19-7-5-4-6-18(14)19)25-21(13-15(2)23-25)24-29(26,27)17-10-8-16(28-3)9-11-17/h4-13,24H,1-3H3.
What are the key properties of 4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide?
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 108783992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).