N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide

C22H16BrN3O3S — CID 1105118

IUPACN-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C22H16BrN3O3S/c23-17-8-10-18(11-9-17)25-22(27)16-5-3-6-20(13-16)30(28,29)26-19-12-15-4-1-2-7-21(15)24-14-19/h1-14,26H,(H,25,27)
InChIKeyILJZPYKOBIVELE-UHFFFAOYSA-N
MW482.36 g/mol
LogP5.05
Rot. Bonds5

About N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide

N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide (PubChem CID 1105118) has the molecular formula C22H16BrN3O3S and a molecular weight of 482.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide
PubChem CID1105118
Molecular FormulaC22H16BrN3O3S
Molecular Weight482.36 g/mol
Exact Mass481.01
IUPAC NameN-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2cnc3ccccc3c2)c1
InChIInChI=1S/C22H16BrN3O3S/c23-17-8-10-18(11-9-17)25-22(27)16-5-3-6-20(13-16)30(28,29)26-19-12-15-4-1-2-7-21(15)24-14-19/h1-14,26H,(H,25,27)
InChIKeyILJZPYKOBIVELE-UHFFFAOYSA-N
XLogP5.05
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.36
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide (CID 1105118) is N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide is O=C(Nc1ccc(Br)cc1)c1cccc(S(=O)(=O)Nc2cnc3ccccc3c2)c1.
What is the InChIKey of N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide?
The InChIKey is ILJZPYKOBIVELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O3S/c23-17-8-10-18(11-9-17)25-22(27)16-5-3-6-20(13-16)30(28,29)26-19-12-15-4-1-2-7-21(15)24-14-19/h1-14,26H,(H,25,27).
What are the key properties of N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide?
N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide has a molecular weight of 482.36 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(quinolin-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 1105118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).