6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide

C13H14Cl2N4O4S2 — CID 4729949

IUPAC6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(Cl)nc1
InChIInChI=1S/C13H14Cl2N4O4S2/c14-12-4-2-10(8-16-12)24(20,21)18-6-1-7-19-25(22,23)11-3-5-13(15)17-9-11/h2-5,8-9,18-19H,1,6-7H2
InChIKeyHJNNZQAZTYGMLO-UHFFFAOYSA-N
MW425.32 g/mol
LogP1.43
Rot. Bonds8

About 6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide

6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide (PubChem CID 4729949) has the molecular formula C13H14Cl2N4O4S2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
PubChem CID4729949
Molecular FormulaC13H14Cl2N4O4S2
Molecular Weight425.32 g/mol
Exact Mass423.98
IUPAC Name6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(Cl)nc1
InChIInChI=1S/C13H14Cl2N4O4S2/c14-12-4-2-10(8-16-12)24(20,21)18-6-1-7-19-25(22,23)11-3-5-13(15)17-9-11/h2-5,8-9,18-19H,1,6-7H2
InChIKeyHJNNZQAZTYGMLO-UHFFFAOYSA-N
XLogP1.43
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide (CID 4729949) is 6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide is O=S(=O)(NCCCNS(=O)(=O)c1ccc(Cl)nc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide?
The InChIKey is HJNNZQAZTYGMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O4S2/c14-12-4-2-10(8-16-12)24(20,21)18-6-1-7-19-25(22,23)11-3-5-13(15)17-9-11/h2-5,8-9,18-19H,1,6-7H2.
What are the key properties of 6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide?
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide has a molecular weight of 425.32 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 4729949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).