N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide

C22H19N5O3S — CID 108784037

IUPACN-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N5O3S/c1-3-30-17-8-10-18(11-9-17)31(28,29)26-22-16(13-23)14-24-27(22)21-12-15(2)19-6-4-5-7-20(19)25-21/h4-12,14,26H,3H2,1-2H3
InChIKeyASMLMPWVRQAGFD-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.80
Rot. Bonds6

About N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide

N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide (PubChem CID 108784037) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide
PubChem CID108784037
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N5O3S/c1-3-30-17-8-10-18(11-9-17)31(28,29)26-22-16(13-23)14-24-27(22)21-12-15(2)19-6-4-5-7-20(19)25-21/h4-12,14,26H,3H2,1-2H3
InChIKeyASMLMPWVRQAGFD-UHFFFAOYSA-N
XLogP3.80
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide
CID 108784025
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide
CID 108769540
N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 108784040
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide
CID 108784022
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
5-[(6-amino-5-nitropyrimidin-4-yl)amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108779253
3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide
CID 108802409
4-chloro-N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-nitrobenzenesulfonamide
CID 108784044
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108747417
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108769497
1-(4-methylquinolin-2-yl)-5-[[6-(3-nitrophenyl)pyridazin-3-yl]amino]pyrazole-4-carbonitrile
CID 108779237
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-3-(4-ethylphenoxy)propanamide
CID 108747339

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide (CID 108784037) is N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2c(C#N)cnn2-c2cc(C)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is ASMLMPWVRQAGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-3-30-17-8-10-18(11-9-17)31(28,29)26-22-16(13-23)14-24-27(22)21-12-15(2)19-6-4-5-7-20(19)25-21/h4-12,14,26H,3H2,1-2H3.
What are the key properties of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide?
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 433.49 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 108784037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).