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

C19H14ClN3O5S2 — CID 67970546

IUPACN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1cccnc1
InChIInChI=1S/C19H14ClN3O5S2/c20-14-7-8-16(22-29(24,25)15-5-3-9-21-12-15)17(11-14)23-30(26,27)19-10-13-4-1-2-6-18(13)28-19/h1-12,22-23H
InChIKeySKXURYKBCDVZMK-UHFFFAOYSA-N
MW463.92 g/mol
LogP4.08
Rot. Bonds6

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

N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide (PubChem CID 67970546) has the molecular formula C19H14ClN3O5S2 and a molecular weight of 463.92 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide
PubChem CID67970546
Molecular FormulaC19H14ClN3O5S2
Molecular Weight463.92 g/mol
Exact Mass463.01
IUPAC NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1cccnc1
InChIInChI=1S/C19H14ClN3O5S2/c20-14-7-8-16(22-29(24,25)15-5-3-9-21-12-15)17(11-14)23-30(26,27)19-10-13-4-1-2-6-18(13)28-19/h1-12,22-23H
InChIKeySKXURYKBCDVZMK-UHFFFAOYSA-N
XLogP4.08
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide (CID 67970546) is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1cccnc1.
What is the InChIKey of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide?
The InChIKey is SKXURYKBCDVZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O5S2/c20-14-7-8-16(22-29(24,25)15-5-3-9-21-12-15)17(11-14)23-30(26,27)19-10-13-4-1-2-6-18(13)28-19/h1-12,22-23H.
What are the key properties of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide?
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]pyridine-3-sulfonamide has a molecular weight of 463.92 g/mol, XLogP of 4.08, 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]pyridine-3-sulfonamide is sourced from PubChem (CID 67970546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).