2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide

C18H15BrN2O3S — CID 155948071

IUPAC2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide
SMILESCc1ccc2cccnc2c1S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O3S/c1-12-4-7-14-3-2-10-20-17(14)18(12)25(23,24)21-16(22)11-13-5-8-15(19)9-6-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyYRZMBIZWBIUPOH-UHFFFAOYSA-N
MW419.30 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide

2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide (PubChem CID 155948071) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide
PubChem CID155948071
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC Name2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide
SMILESCc1ccc2cccnc2c1S(=O)(=O)NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O3S/c1-12-4-7-14-3-2-10-20-17(14)18(12)25(23,24)21-16(22)11-13-5-8-15(19)9-6-13/h2-10H,11H2,1H3,(H,21,22)
InChIKeyYRZMBIZWBIUPOH-UHFFFAOYSA-N
XLogP3.35
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide
CID 166209694
5-ethyl-N-(7-methylquinolin-8-yl)sulfonyl-2-oxo-1H-pyridine-3-carboxamide
CID 166357898
2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide
CID 167985202
N-(benzenesulfonyl)-2-(4-bromophenyl)acetamide
CID 47108713
7-methyl-N-[2-(methylamino)propyl]quinoline-8-sulfonamide;hydrochloride
CID 120824315
N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159643443
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
2-[(7-methylquinolin-8-yl)sulfonylamino]-3-(oxolan-3-yl)propanoic acid
CID 146128051
N-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 56659875
2-(4-bromophenyl)-N-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]acetamide
CID 155967365

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide (CID 155948071) is 2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide is Cc1ccc2cccnc2c1S(=O)(=O)NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide?
The InChIKey is YRZMBIZWBIUPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c1-12-4-7-14-3-2-10-20-17(14)18(12)25(23,24)21-16(22)11-13-5-8-15(19)9-6-13/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide?
2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide has a molecular weight of 419.30 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide is sourced from PubChem (CID 155948071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).