N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide

C23H21N5O2S — CID 108784022

IUPACN-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c(C)c1
InChIInChI=1S/C23H21N5O2S/c1-14-8-9-20(17(4)10-14)31(29,30)27-23-18(12-24)13-25-28(23)21-11-16(3)19-7-5-6-15(2)22(19)26-21/h5-11,13,27H,1-4H3
InChIKeyFGCPHMFZJJAJHV-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.33
Rot. Bonds4

About N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide

N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 108784022) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID108784022
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c(C)c1
InChIInChI=1S/C23H21N5O2S/c1-14-8-9-20(17(4)10-14)31(29,30)27-23-18(12-24)13-25-28(23)21-11-16(3)19-7-5-6-15(2)22(19)26-21/h5-11,13,27H,1-4H3
InChIKeyFGCPHMFZJJAJHV-UHFFFAOYSA-N
XLogP4.33
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide
CID 108784025
2-cyano-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108769426
5-[(3-chloroquinoxalin-2-yl)amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108779236
N-[4-[[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 108784040
1-(4,8-dimethylquinolin-2-yl)-5-[(6-phenylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile
CID 108779201
4-chloro-N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-nitrobenzenesulfonamide
CID 108784044
2-(4-acetamidophenyl)-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108747345
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108769465
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide
CID 108784037
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
CID 108800834
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108779233
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-methyl-3,5-dinitrobenzamide
CID 108747322

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide (CID 108784022) is N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C#N)cnn2-c2cc(C)c3cccc(C)c3n2)c(C)c1.
What is the InChIKey of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is FGCPHMFZJJAJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-14-8-9-20(17(4)10-14)31(29,30)27-23-18(12-24)13-25-28(23)21-11-16(3)19-7-5-6-15(2)22(19)26-21/h5-11,13,27H,1-4H3.
What are the key properties of N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide?
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 431.52 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 108784022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).