N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide

C19H12Cl3N3O5S2 — CID 57382883

IUPACN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl3N3O5S2/c20-12-5-6-15(24-31(26,27)13-9-14(21)19(22)23-10-13)16(8-12)25-32(28,29)18-7-11-3-1-2-4-17(11)30-18/h1-10,24-25H
InChIKeyXOEFBWQEUSGODG-UHFFFAOYSA-N
MW532.81 g/mol
LogP5.39
Rot. Bonds6

About N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide

N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide (PubChem CID 57382883) has the molecular formula C19H12Cl3N3O5S2 and a molecular weight of 532.81 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide
PubChem CID57382883
Molecular FormulaC19H12Cl3N3O5S2
Molecular Weight532.81 g/mol
Exact Mass530.93
IUPAC NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl3N3O5S2/c20-12-5-6-15(24-31(26,27)13-9-14(21)19(22)23-10-13)16(8-12)25-32(28,29)18-7-11-3-1-2-4-17(11)30-18/h1-10,24-25H
InChIKeyXOEFBWQEUSGODG-UHFFFAOYSA-N
XLogP5.39
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.81
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide?
The IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide (CID 57382883) is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide?
The canonical SMILES for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide?
The InChIKey is XOEFBWQEUSGODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3O5S2/c20-12-5-6-15(24-31(26,27)13-9-14(21)19(22)23-10-13)16(8-12)25-32(28,29)18-7-11-3-1-2-4-17(11)30-18/h1-10,24-25H.
What are the key properties of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide?
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-5,6-dichloropyridine-3-sulfonamide has a molecular weight of 532.81 g/mol, XLogP of 5.39, 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]-5,6-dichloropyridine-3-sulfonamide is sourced from PubChem (CID 57382883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).