N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide

C23H16ClN3O5S2 — CID 57383312

IUPACN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1cnc2ccccc2c1
InChIInChI=1S/C23H16ClN3O5S2/c24-17-9-10-20(26-33(28,29)18-11-15-5-1-3-7-19(15)25-14-18)21(13-17)27-34(30,31)23-12-16-6-2-4-8-22(16)32-23/h1-14,26-27H
InChIKeyCCTDHTUDQLGWCS-UHFFFAOYSA-N
MW513.98 g/mol
LogP5.24
Rot. Bonds6

About N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide

N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide (PubChem CID 57383312) has the molecular formula C23H16ClN3O5S2 and a molecular weight of 513.98 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide
PubChem CID57383312
Molecular FormulaC23H16ClN3O5S2
Molecular Weight513.98 g/mol
Exact Mass513.02
IUPAC NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1cnc2ccccc2c1
InChIInChI=1S/C23H16ClN3O5S2/c24-17-9-10-20(26-33(28,29)18-11-15-5-1-3-7-19(15)25-14-18)21(13-17)27-34(30,31)23-12-16-6-2-4-8-22(16)32-23/h1-14,26-27H
InChIKeyCCTDHTUDQLGWCS-UHFFFAOYSA-N
XLogP5.24
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.98
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide?
The IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide (CID 57383312) is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide?
The canonical SMILES for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1cnc2ccccc2c1.
What is the InChIKey of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide?
The InChIKey is CCTDHTUDQLGWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O5S2/c24-17-9-10-20(26-33(28,29)18-11-15-5-1-3-7-19(15)25-14-18)21(13-17)27-34(30,31)23-12-16-6-2-4-8-22(16)32-23/h1-14,26-27H.
What are the key properties of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide?
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide has a molecular weight of 513.98 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]quinoline-3-sulfonamide is sourced from PubChem (CID 57383312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).