4-ethyl-N-quinolin-5-ylbenzenesulfonamide

C17H16N2O2S — CID 3753530

IUPAC4-ethyl-N-quinolin-5-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C17H16N2O2S/c1-2-13-8-10-14(11-9-13)22(20,21)19-17-7-3-6-16-15(17)5-4-12-18-16/h3-12,19H,2H2,1H3
InChIKeyFPVRTANKVMFCIS-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.60
Rot. Bonds4

About 4-ethyl-N-quinolin-5-ylbenzenesulfonamide

4-ethyl-N-quinolin-5-ylbenzenesulfonamide (PubChem CID 3753530) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-ethyl-N-quinolin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-quinolin-5-ylbenzenesulfonamide
PubChem CID3753530
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-ethyl-N-quinolin-5-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C17H16N2O2S/c1-2-13-8-10-14(11-9-13)22(20,21)19-17-7-3-6-16-15(17)5-4-12-18-16/h3-12,19H,2H2,1H3
InChIKeyFPVRTANKVMFCIS-UHFFFAOYSA-N
XLogP3.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-quinolin-5-ylbenzenesulfonamide
CID 3337546
3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 35282374
2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3847613
4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide
CID 121419270
1-phenyl-N-quinolin-5-ylmethanesulfonamide
CID 35282433
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
CID 116814822
4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide
CID 107773041
3-methoxy-N-quinolin-5-ylthiophene-2-sulfonamide
CID 75435601
2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide
CID 43456143
2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 112773656
N-quinolin-8-yl-4-tridecylbenzenesulfonamide
CID 102007956

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-quinolin-5-ylbenzenesulfonamide?
The IUPAC name of 4-ethyl-N-quinolin-5-ylbenzenesulfonamide (CID 3753530) is 4-ethyl-N-quinolin-5-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-quinolin-5-ylbenzenesulfonamide?
The canonical SMILES for 4-ethyl-N-quinolin-5-ylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of 4-ethyl-N-quinolin-5-ylbenzenesulfonamide?
The InChIKey is FPVRTANKVMFCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-13-8-10-14(11-9-13)22(20,21)19-17-7-3-6-16-15(17)5-4-12-18-16/h3-12,19H,2H2,1H3.
What are the key properties of 4-ethyl-N-quinolin-5-ylbenzenesulfonamide?
4-ethyl-N-quinolin-5-ylbenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-quinolin-5-ylbenzenesulfonamide is sourced from PubChem (CID 3753530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).