4-bromo-N-quinolin-5-ylbenzenesulfonamide

C15H11BrN2O2S — CID 3704906

IUPAC4-bromo-N-quinolin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ncccc12)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O2S/c16-11-6-8-12(9-7-11)21(19,20)18-15-5-1-4-14-13(15)3-2-10-17-14/h1-10,18H
InChIKeyAWIONRZFHXJQMR-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.80
Rot. Bonds3

About 4-bromo-N-quinolin-5-ylbenzenesulfonamide

4-bromo-N-quinolin-5-ylbenzenesulfonamide (PubChem CID 3704906) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 4-bromo-N-quinolin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-quinolin-5-ylbenzenesulfonamide
PubChem CID3704906
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Name4-bromo-N-quinolin-5-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ncccc12)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O2S/c16-11-6-8-12(9-7-11)21(19,20)18-15-5-1-4-14-13(15)3-2-10-17-14/h1-10,18H
InChIKeyAWIONRZFHXJQMR-UHFFFAOYSA-N
XLogP3.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-quinolin-5-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-quinolin-5-ylbenzenesulfonamide (CID 3704906) is 4-bromo-N-quinolin-5-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-quinolin-5-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-quinolin-5-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2ncccc12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-quinolin-5-ylbenzenesulfonamide?
The InChIKey is AWIONRZFHXJQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c16-11-6-8-12(9-7-11)21(19,20)18-15-5-1-4-14-13(15)3-2-10-17-14/h1-10,18H.
What are the key properties of 4-bromo-N-quinolin-5-ylbenzenesulfonamide?
4-bromo-N-quinolin-5-ylbenzenesulfonamide has a molecular weight of 363.24 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-quinolin-5-ylbenzenesulfonamide is sourced from PubChem (CID 3704906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).