2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

C24H20BrN3O3S — CID 2555353

IUPAC2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H20BrN3O3S/c25-18-9-7-17(8-10-18)23-15-21(20-3-1-2-4-22(20)28-23)24(29)27-14-13-16-5-11-19(12-6-16)32(26,30)31/h1-12,15H,13-14H2,(H,27,29)(H2,26,30,31)
InChIKeyPJLQDNYGXVRRIG-UHFFFAOYSA-N
MW510.41 g/mol
LogP4.28
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide

2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 2555353) has the molecular formula C24H20BrN3O3S and a molecular weight of 510.41 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
PubChem CID2555353
Molecular FormulaC24H20BrN3O3S
Molecular Weight510.41 g/mol
Exact Mass509.04
IUPAC Name2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H20BrN3O3S/c25-18-9-7-17(8-10-18)23-15-21(20-3-1-2-4-22(20)28-23)24(29)27-14-13-16-5-11-19(12-6-16)32(26,30)31/h1-12,15H,13-14H2,(H,27,29)(H2,26,30,31)
InChIKeyPJLQDNYGXVRRIG-UHFFFAOYSA-N
XLogP4.28
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide (CID 2555353) is 2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is PJLQDNYGXVRRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O3S/c25-18-9-7-17(8-10-18)23-15-21(20-3-1-2-4-22(20)28-23)24(29)27-14-13-16-5-11-19(12-6-16)32(26,30)31/h1-12,15H,13-14H2,(H,27,29)(H2,26,30,31).
What are the key properties of 2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide?
2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 510.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 2555353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).