N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide

C25H18ClN3O5S2 — CID 67970120

IUPACN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C25H18ClN3O5S2/c26-19-10-12-22(23(15-19)29-36(32,33)25-14-18-8-4-5-9-24(18)34-25)28-35(30,31)20-11-13-21(27-16-20)17-6-2-1-3-7-17/h1-16,28-29H
InChIKeyCENUWFBQJGYSTB-UHFFFAOYSA-N
MW540.02 g/mol
LogP5.75
Rot. Bonds7

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

N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide (PubChem CID 67970120) has the molecular formula C25H18ClN3O5S2 and a molecular weight of 540.02 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide
PubChem CID67970120
Molecular FormulaC25H18ClN3O5S2
Molecular Weight540.02 g/mol
Exact Mass539.04
IUPAC NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C25H18ClN3O5S2/c26-19-10-12-22(23(15-19)29-36(32,33)25-14-18-8-4-5-9-24(18)34-25)28-35(30,31)20-11-13-21(27-16-20)17-6-2-1-3-7-17/h1-16,28-29H
InChIKeyCENUWFBQJGYSTB-UHFFFAOYSA-N
XLogP5.75
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.02
LogP ≤ 55.75
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]-6-phenylpyridine-3-sulfonamide?
The IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide (CID 67970120) is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide?
The InChIKey is CENUWFBQJGYSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O5S2/c26-19-10-12-22(23(15-19)29-36(32,33)25-14-18-8-4-5-9-24(18)34-25)28-35(30,31)20-11-13-21(27-16-20)17-6-2-1-3-7-17/h1-16,28-29H.
What are the key properties of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide?
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-phenylpyridine-3-sulfonamide has a molecular weight of 540.02 g/mol, XLogP of 5.75, 7 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]-6-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 67970120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).