3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide

C18H19BrN2O3S — CID 27656057

IUPAC3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cccc(Br)c3)cc21
InChIInChI=1S/C18H19BrN2O3S/c1-2-25(23,24)21-10-4-6-13-8-9-16(12-17(13)21)20-18(22)14-5-3-7-15(19)11-14/h3,5,7-9,11-12H,2,4,6,10H2,1H3,(H,20,22)
InChIKeyHFZNDQYLLGXPIS-UHFFFAOYSA-N
MW423.33 g/mol
LogP3.80
Rot. Bonds4

About 3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide

3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide (PubChem CID 27656057) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is 3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
PubChem CID27656057
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC Name3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
SMILESCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cccc(Br)c3)cc21
InChIInChI=1S/C18H19BrN2O3S/c1-2-25(23,24)21-10-4-6-13-8-9-16(12-17(13)21)20-18(22)14-5-3-7-15(19)11-14/h3,5,7-9,11-12H,2,4,6,10H2,1H3,(H,20,22)
InChIKeyHFZNDQYLLGXPIS-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide
CID 27656037
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
3-bromo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27545934
3-bromo-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930045
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686978
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
CID 7527164
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
CID 16835427

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
The IUPAC name of 3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide (CID 27656057) is 3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
The canonical SMILES for 3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide is CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cccc(Br)c3)cc21.
What is the InChIKey of 3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
The InChIKey is HFZNDQYLLGXPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c1-2-25(23,24)21-10-4-6-13-8-9-16(12-17(13)21)20-18(22)14-5-3-7-15(19)11-14/h3,5,7-9,11-12H,2,4,6,10H2,1H3,(H,20,22).
What are the key properties of 3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide has a molecular weight of 423.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide is sourced from PubChem (CID 27656057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).