2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide

C9H5Cl2IN2O2S2 — CID 65100563

IUPAC2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H5Cl2IN2O2S2/c10-7-3-6(9(11)17-7)18(15,16)14-8-2-1-5(12)4-13-8/h1-4H,(H,13,14)
InChIKeyXYUPXLPJFSPERE-UHFFFAOYSA-N
MW435.10 g/mol
LogP3.86
Rot. Bonds3

About 2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide

2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide (PubChem CID 65100563) has the molecular formula C9H5Cl2IN2O2S2 and a molecular weight of 435.10 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide
PubChem CID65100563
Molecular FormulaC9H5Cl2IN2O2S2
Molecular Weight435.10 g/mol
Exact Mass433.82
IUPAC Name2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H5Cl2IN2O2S2/c10-7-3-6(9(11)17-7)18(15,16)14-8-2-1-5(12)4-13-8/h1-4H,(H,13,14)
InChIKeyXYUPXLPJFSPERE-UHFFFAOYSA-N
XLogP3.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.10
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide (CID 65100563) is 2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(I)cn1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide?
The InChIKey is XYUPXLPJFSPERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2IN2O2S2/c10-7-3-6(9(11)17-7)18(15,16)14-8-2-1-5(12)4-13-8/h1-4H,(H,13,14).
What are the key properties of 2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide has a molecular weight of 435.10 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide is sourced from PubChem (CID 65100563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).