2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide

C17H14BrN3O3S — CID 50740354

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2ncccc2c1
InChIInChI=1S/C17H14BrN3O3S/c18-13-3-6-15(7-4-13)25(23,24)20-11-17(22)21-14-5-8-16-12(10-14)2-1-9-19-16/h1-10,20H,11H2,(H,21,22)
InChIKeyJNAGZBCHFAQBRD-UHFFFAOYSA-N
MW420.29 g/mol
LogP2.91
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide

2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide (PubChem CID 50740354) has the molecular formula C17H14BrN3O3S and a molecular weight of 420.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide
PubChem CID50740354
Molecular FormulaC17H14BrN3O3S
Molecular Weight420.29 g/mol
Exact Mass418.99
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2ncccc2c1
InChIInChI=1S/C17H14BrN3O3S/c18-13-3-6-15(7-4-13)25(23,24)20-11-17(22)21-14-5-8-16-12(10-14)2-1-9-19-16/h1-10,20H,11H2,(H,21,22)
InChIKeyJNAGZBCHFAQBRD-UHFFFAOYSA-N
XLogP2.91
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
3,5-dibromo-N-quinolin-6-ylbenzamide
CID 107980427
5-chloro-N-quinolin-6-ylpentanamide
CID 55097309
2-[(4-chlorophenyl)sulfonylamino]-N-quinolin-6-ylpropanamide
CID 50740349
N-(4-bromo-3-methylphenyl)-2-quinolin-6-yloxyacetamide
CID 112978729
N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113000546
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 1316963
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
CID 60556006

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide (CID 50740354) is 2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide is O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide?
The InChIKey is JNAGZBCHFAQBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3S/c18-13-3-6-15(7-4-13)25(23,24)20-11-17(22)21-14-5-8-16-12(10-14)2-1-9-19-16/h1-10,20H,11H2,(H,21,22).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide?
2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide has a molecular weight of 420.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-quinolin-6-ylacetamide is sourced from PubChem (CID 50740354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).