5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide

C34H30N6O7S2 — CID 54711581

IUPAC5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide
SMILESCCC(C1=C(O)CC(CC)(c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cn2)c1
InChIInChI=1S/C34H30N6O7S2/c1-3-28(24-7-5-9-26(15-24)39-48(43,44)30-13-11-22(18-35)20-37-30)32-29(41)17-34(4-2,47-33(32)42)25-8-6-10-27(16-25)40-49(45,46)31-14-12-23(19-36)21-38-31/h5-16,20-21,28,39-41H,3-4,17H2,1-2H3
InChIKeyAEIMLFGZRFRJQE-UHFFFAOYSA-N
MW698.78 g/mol
LogP5.38
Rot. Bonds11

About 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide

5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide (PubChem CID 54711581) has the molecular formula C34H30N6O7S2 and a molecular weight of 698.78 g/mol. Its IUPAC name is 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide
PubChem CID54711581
Molecular FormulaC34H30N6O7S2
Molecular Weight698.78 g/mol
Exact Mass698.16
IUPAC Name5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide
SMILESCCC(C1=C(O)CC(CC)(c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cn2)c1
InChIInChI=1S/C34H30N6O7S2/c1-3-28(24-7-5-9-26(15-24)39-48(43,44)30-13-11-22(18-35)20-37-30)32-29(41)17-34(4-2,47-33(32)42)25-8-6-10-27(16-25)40-49(45,46)31-14-12-23(19-36)21-38-31/h5-16,20-21,28,39-41H,3-4,17H2,1-2H3
InChIKeyAEIMLFGZRFRJQE-UHFFFAOYSA-N
XLogP5.38
TPSA212.23 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500698.78
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide?
The IUPAC name of 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide (CID 54711581) is 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide is CCC(C1=C(O)CC(CC)(c2cccc(NS(=O)(=O)c3ccc(C#N)cn3)c2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cn2)c1.
What is the InChIKey of 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide?
The InChIKey is AEIMLFGZRFRJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N6O7S2/c1-3-28(24-7-5-9-26(15-24)39-48(43,44)30-13-11-22(18-35)20-37-30)32-29(41)17-34(4-2,47-33(32)42)25-8-6-10-27(16-25)40-49(45,46)31-14-12-23(19-36)21-38-31/h5-16,20-21,28,39-41H,3-4,17H2,1-2H3.
What are the key properties of 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide?
5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide has a molecular weight of 698.78 g/mol, XLogP of 5.38, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[3-[1-[2-[3-[(5-cyano-2-pyridinyl)sulfonylamino]phenyl]-2-ethyl-4-hydroxy-6-oxo-3H-pyran-5-yl]propyl]phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 54711581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).