2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C17H17BrN2O3S — CID 7658004

IUPAC2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccccc3Br)ccc21
InChIInChI=1S/C17H17BrN2O3S/c1-24(22,23)20-10-4-5-12-11-13(8-9-16(12)20)19-17(21)14-6-2-3-7-15(14)18/h2-3,6-9,11H,4-5,10H2,1H3,(H,19,21)
InChIKeyHBVZAKHARXPGNZ-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.41
Rot. Bonds3

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

2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 7658004) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is 2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID7658004
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccccc3Br)ccc21
InChIInChI=1S/C17H17BrN2O3S/c1-24(22,23)20-10-4-5-12-11-13(8-9-16(12)20)19-17(21)14-6-2-3-7-15(14)18/h2-3,6-9,11H,4-5,10H2,1H3,(H,19,21)
InChIKeyHBVZAKHARXPGNZ-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657890
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657892
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2673412
N-benzyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658096
2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid
CID 119255068
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-nitrobenzamide
CID 7657972

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 7658004) is 2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is CS(=O)(=O)N1CCCc2cc(NC(=O)c3ccccc3Br)ccc21.
What is the InChIKey of 2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is HBVZAKHARXPGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c1-24(22,23)20-10-4-5-12-11-13(8-9-16(12)20)19-17(21)14-6-2-3-7-15(14)18/h2-3,6-9,11H,4-5,10H2,1H3,(H,19,21).
What are the key properties of 2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 409.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 7658004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).