4-butyl-N-quinolin-5-ylbenzenesulfonamide

C19H20N2O2S — CID 3337546

IUPAC4-butyl-N-quinolin-5-ylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-3-6-15-10-12-16(13-11-15)24(22,23)21-19-9-4-8-18-17(19)7-5-14-20-18/h4-5,7-14,21H,2-3,6H2,1H3
InChIKeyXMRLZFONOKJTTR-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.38
Rot. Bonds6

About 4-butyl-N-quinolin-5-ylbenzenesulfonamide

4-butyl-N-quinolin-5-ylbenzenesulfonamide (PubChem CID 3337546) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-butyl-N-quinolin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-quinolin-5-ylbenzenesulfonamide
PubChem CID3337546
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-butyl-N-quinolin-5-ylbenzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-3-6-15-10-12-16(13-11-15)24(22,23)21-19-9-4-8-18-17(19)7-5-14-20-18/h4-5,7-14,21H,2-3,6H2,1H3
InChIKeyXMRLZFONOKJTTR-UHFFFAOYSA-N
XLogP4.38
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530
N-quinolin-8-yl-4-tridecylbenzenesulfonamide
CID 102007956
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 35282374
2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3847613
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
4-butyl-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 22202239
1-phenyl-N-quinolin-5-ylmethanesulfonamide
CID 35282433
4-pentyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3868589
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
CID 116814822
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-quinolin-5-ylbenzenesulfonamide?
The IUPAC name of 4-butyl-N-quinolin-5-ylbenzenesulfonamide (CID 3337546) is 4-butyl-N-quinolin-5-ylbenzenesulfonamide.
What is the SMILES notation for 4-butyl-N-quinolin-5-ylbenzenesulfonamide?
The canonical SMILES for 4-butyl-N-quinolin-5-ylbenzenesulfonamide is CCCCc1ccc(S(=O)(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of 4-butyl-N-quinolin-5-ylbenzenesulfonamide?
The InChIKey is XMRLZFONOKJTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-3-6-15-10-12-16(13-11-15)24(22,23)21-19-9-4-8-18-17(19)7-5-14-20-18/h4-5,7-14,21H,2-3,6H2,1H3.
What are the key properties of 4-butyl-N-quinolin-5-ylbenzenesulfonamide?
4-butyl-N-quinolin-5-ylbenzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-quinolin-5-ylbenzenesulfonamide is sourced from PubChem (CID 3337546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).