N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide

C19H13BrN2O2S — CID 16759550

IUPACN-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cc(Br)cc2cccnc12)c1cccc2ccccc12
InChIInChI=1S/C19H13BrN2O2S/c20-15-11-14-7-4-10-21-19(14)17(12-15)22-25(23,24)18-9-3-6-13-5-1-2-8-16(13)18/h1-12,22H
InChIKeySVUASDLWEMZLDG-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.95
Rot. Bonds3

About N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide

N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide (PubChem CID 16759550) has the molecular formula C19H13BrN2O2S and a molecular weight of 413.30 g/mol. Its IUPAC name is N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide
PubChem CID16759550
Molecular FormulaC19H13BrN2O2S
Molecular Weight413.30 g/mol
Exact Mass411.99
IUPAC NameN-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cc(Br)cc2cccnc12)c1cccc2ccccc12
InChIInChI=1S/C19H13BrN2O2S/c20-15-11-14-7-4-10-21-19(14)17(12-15)22-25(23,24)18-9-3-6-13-5-1-2-8-16(13)18/h1-12,22H
InChIKeySVUASDLWEMZLDG-UHFFFAOYSA-N
XLogP4.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
CID 139947697
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
CID 3666979
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
N-[3-(trifluoromethyl)-2-pyridinyl]naphthalene-1-sulfonamide
CID 167863794
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide
CID 67026821
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(4-methyl-3-pyridinyl)naphthalene-1-sulfonamide
CID 115685376
naphthalen-1-ylsulfonyl(quinolin-8-yl)azanide;zinc
CID 22974317

Frequently Asked Questions

What is the IUPAC name of N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide (CID 16759550) is N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide is O=S(=O)(Nc1cc(Br)cc2cccnc12)c1cccc2ccccc12.
What is the InChIKey of N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide?
The InChIKey is SVUASDLWEMZLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O2S/c20-15-11-14-7-4-10-21-19(14)17(12-15)22-25(23,24)18-9-3-6-13-5-1-2-8-16(13)18/h1-12,22H.
What are the key properties of N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide?
N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide has a molecular weight of 413.30 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 16759550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).