N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide

C9H5BrCl2N2O2S2 — CID 43520652

IUPACN-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)n1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H5BrCl2N2O2S2/c10-6-2-1-3-8(13-6)14-18(15,16)5-4-7(11)17-9(5)12/h1-4H,(H,13,14)
InChIKeyCWKWARVLOLKLEH-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.01
Rot. Bonds3

About N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide

N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 43520652) has the molecular formula C9H5BrCl2N2O2S2 and a molecular weight of 388.10 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
PubChem CID43520652
Molecular FormulaC9H5BrCl2N2O2S2
Molecular Weight388.10 g/mol
Exact Mass385.84
IUPAC NameN-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)n1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H5BrCl2N2O2S2/c10-6-2-1-3-8(13-6)14-18(15,16)5-4-7(11)17-9(5)12/h1-4H,(H,13,14)
InChIKeyCWKWARVLOLKLEH-UHFFFAOYSA-N
XLogP4.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide (CID 43520652) is N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide is O=S(=O)(Nc1cccc(Br)n1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is CWKWARVLOLKLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2O2S2/c10-6-2-1-3-8(13-6)14-18(15,16)5-4-7(11)17-9(5)12/h1-4H,(H,13,14).
What are the key properties of N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide?
N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 388.10 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 43520652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).