N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide

C22H21BrN2O2S — CID 59778201

IUPACN-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1Cc2cc(Br)ccc2N(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C22H21BrN2O2S/c23-19-11-12-22-18(13-19)14-20(16-25(22)15-17-7-3-1-4-8-17)24-28(26,27)21-9-5-2-6-10-21/h1-13,20,24H,14-16H2
InChIKeyQFMPDBQXDIIOFL-UHFFFAOYSA-N
MW457.39 g/mol
LogP4.36
Rot. Bonds5

About N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide

N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide (PubChem CID 59778201) has the molecular formula C22H21BrN2O2S and a molecular weight of 457.39 g/mol. Its IUPAC name is N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide
PubChem CID59778201
Molecular FormulaC22H21BrN2O2S
Molecular Weight457.39 g/mol
Exact Mass456.05
IUPAC NameN-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1Cc2cc(Br)ccc2N(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C22H21BrN2O2S/c23-19-11-12-22-18(13-19)14-20(16-25(22)15-17-7-3-1-4-8-17)24-28(26,27)21-9-5-2-6-10-21/h1-13,20,24H,14-16H2
InChIKeyQFMPDBQXDIIOFL-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 66757324
N-[1-benzyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 59778187
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide
CID 11350637
tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate
CID 59297053
N-(8-benzyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazin-6-yl)benzenesulfonamide
CID 11554304
N-[6-chloro-1-(cyclohexylmethyl)-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 11270072
N-[1-benzyl-6-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]-1-phenylmethanesulfonamide
CID 52932427
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]piperidine-1-sulfonamide
CID 52932493
N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 25006923
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
N-[(3R)-1-benzyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]-3-fluorobenzenesulfonamide
CID 58670127
(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
CID 66757512

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide?
The IUPAC name of N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide (CID 59778201) is N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide is O=S(=O)(NC1Cc2cc(Br)ccc2N(Cc2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide?
The InChIKey is QFMPDBQXDIIOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O2S/c23-19-11-12-22-18(13-19)14-20(16-25(22)15-17-7-3-1-4-8-17)24-28(26,27)21-9-5-2-6-10-21/h1-13,20,24H,14-16H2.
What are the key properties of N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide?
N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide has a molecular weight of 457.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 59778201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).