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

C23H21ClN4O6S2 — CID 67970255

IUPACN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H21ClN4O6S2/c24-17-5-7-19(20(14-17)27-36(31,32)23-13-16-3-1-2-4-21(16)34-23)26-35(29,30)18-6-8-22(25-15-18)28-9-11-33-12-10-28/h1-8,13-15,26-27H,9-12H2
InChIKeyOHLASZGCKKAERE-UHFFFAOYSA-N
MW549.03 g/mol
LogP3.92
Rot. Bonds7

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

N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 67970255) has the molecular formula C23H21ClN4O6S2 and a molecular weight of 549.03 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
PubChem CID67970255
Molecular FormulaC23H21ClN4O6S2
Molecular Weight549.03 g/mol
Exact Mass548.06
IUPAC NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H21ClN4O6S2/c24-17-5-7-19(20(14-17)27-36(31,32)23-13-16-3-1-2-4-21(16)34-23)26-35(29,30)18-6-8-22(25-15-18)28-9-11-33-12-10-28/h1-8,13-15,26-27H,9-12H2
InChIKeyOHLASZGCKKAERE-UHFFFAOYSA-N
XLogP3.92
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.03
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide (CID 67970255) is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
The InChIKey is OHLASZGCKKAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O6S2/c24-17-5-7-19(20(14-17)27-36(31,32)23-13-16-3-1-2-4-21(16)34-23)26-35(29,30)18-6-8-22(25-15-18)28-9-11-33-12-10-28/h1-8,13-15,26-27H,9-12H2.
What are the key properties of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide?
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 549.03 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 67970255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).