4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide

C17H15BrN2O2S — CID 3814344

IUPAC4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C17H15BrN2O2S/c1-2-12-9-14(18)7-8-17(12)23(21,22)20-15-10-13-5-3-4-6-16(13)19-11-15/h3-11,20H,2H2,1H3
InChIKeyLFPLKEJYLDQTDP-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.36
Rot. Bonds4

About 4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide

4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 3814344) has the molecular formula C17H15BrN2O2S and a molecular weight of 391.29 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide
PubChem CID3814344
Molecular FormulaC17H15BrN2O2S
Molecular Weight391.29 g/mol
Exact Mass390.00
IUPAC Name4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C17H15BrN2O2S/c1-2-12-9-14(18)7-8-17(12)23(21,22)20-15-10-13-5-3-4-6-16(13)19-11-15/h3-11,20H,2H2,1H3
InChIKeyLFPLKEJYLDQTDP-UHFFFAOYSA-N
XLogP4.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
2,3,4,5,6-pentamethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3863946
4-bromo-N-(2-butan-2-ylphenyl)-2-ethylbenzenesulfonamide
CID 3822768
4-bromo-2-ethyl-N-methylbenzenesulfonamide
CID 67059569
5-cyano-N-quinolin-3-ylthiophene-2-sulfonamide
CID 106268092
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
4-bromo-N-(2-bromo-4-fluorophenyl)-2-ethylbenzenesulfonamide
CID 3369335
4-bromo-2-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 25041295
1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide
CID 114133809
4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485889
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
4-methoxy-N-(2-methoxyethyl)-3-(quinolin-3-ylsulfamoyl)benzamide
CID 56684183

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide (CID 3814344) is 4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is LFPLKEJYLDQTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S/c1-2-12-9-14(18)7-8-17(12)23(21,22)20-15-10-13-5-3-4-6-16(13)19-11-15/h3-11,20H,2H2,1H3.
What are the key properties of 4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide?
4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide has a molecular weight of 391.29 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 3814344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).