3-bromo-N-quinolin-2-ylbenzenesulfonamide

C15H11BrN2O2S — CID 166063346

IUPAC3-bromo-N-quinolin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2n1)c1cccc(Br)c1
InChIInChI=1S/C15H11BrN2O2S/c16-12-5-3-6-13(10-12)21(19,20)18-15-9-8-11-4-1-2-7-14(11)17-15/h1-10H,(H,17,18)
InChIKeyXLIMGXCKLURNGX-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.80
Rot. Bonds3

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

3-bromo-N-quinolin-2-ylbenzenesulfonamide (PubChem CID 166063346) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 3-bromo-N-quinolin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-quinolin-2-ylbenzenesulfonamide
PubChem CID166063346
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Name3-bromo-N-quinolin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2n1)c1cccc(Br)c1
InChIInChI=1S/C15H11BrN2O2S/c16-12-5-3-6-13(10-12)21(19,20)18-15-9-8-11-4-1-2-7-14(11)17-15/h1-10H,(H,17,18)
InChIKeyXLIMGXCKLURNGX-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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Related Compounds

3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
quinolin-2-ylsulfamic acid
CID 141346931
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide
CID 55376504
3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527883
3-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 112697809
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
N-[3-(3-bromoanilino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 2010811
N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62144171
3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62399730
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid
CID 62534954

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-quinolin-2-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-quinolin-2-ylbenzenesulfonamide (CID 166063346) is 3-bromo-N-quinolin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-quinolin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-quinolin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccc2ccccc2n1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-quinolin-2-ylbenzenesulfonamide?
The InChIKey is XLIMGXCKLURNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c16-12-5-3-6-13(10-12)21(19,20)18-15-9-8-11-4-1-2-7-14(11)17-15/h1-10H,(H,17,18).
What are the key properties of 3-bromo-N-quinolin-2-ylbenzenesulfonamide?
3-bromo-N-quinolin-2-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 3-bromo-N-quinolin-2-ylbenzenesulfonamide is sourced from PubChem (CID 166063346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).