4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide

C18H17F2N3O2S — CID 133499860

IUPAC4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1cc(NCCc2ccc(S(N)(=O)=O)cc2)c2ccc(F)c(F)c2n1
InChIInChI=1S/C18H17F2N3O2S/c1-11-10-16(14-6-7-15(19)17(20)18(14)23-11)22-9-8-12-2-4-13(5-3-12)26(21,24)25/h2-7,10H,8-9H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyHKDXVXRFBJJZCV-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.12
Rot. Bonds5

About 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide

4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 133499860) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID133499860
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1cc(NCCc2ccc(S(N)(=O)=O)cc2)c2ccc(F)c(F)c2n1
InChIInChI=1S/C18H17F2N3O2S/c1-11-10-16(14-6-7-15(19)17(20)18(14)23-11)22-9-8-12-2-4-13(5-3-12)26(21,24)25/h2-7,10H,8-9H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyHKDXVXRFBJJZCV-UHFFFAOYSA-N
XLogP3.12
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide 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

7,8-difluoro-2-methyl-N-propylquinolin-4-amine
CID 62196946
3-[(7,8-difluoro-2-methylquinolin-4-yl)amino]propan-1-ol
CID 133499965
7,8-difluoro-N-(2-methoxyethyl)-2-methylquinolin-4-amine
CID 133499890
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
CID 70717745
6-fluoro-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 108789667
4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
4-[2-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922513
4-[2-(4-fluorophenyl)ethylamino]-3-nitrobenzenesulfonamide
CID 9311159
4-[2-[[6-(tert-butylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112874870
4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112913985
4-[2-[[6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922514

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide (CID 133499860) is 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide is Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)c2ccc(F)c(F)c2n1.
What is the InChIKey of 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is HKDXVXRFBJJZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c1-11-10-16(14-6-7-15(19)17(20)18(14)23-11)22-9-8-12-2-4-13(5-3-12)26(21,24)25/h2-7,10H,8-9H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 377.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(7,8-difluoro-2-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133499860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).