2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide

C9H5Br2ClN2O2S2 — CID 103601783

IUPAC2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C9H5Br2ClN2O2S2/c10-7-4-6(8(11)17-7)18(15,16)14-5-2-1-3-13-9(5)12/h1-4,14H
InChIKeyZIUYYENXEYXUMO-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.12
Rot. Bonds3

About 2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide

2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide (PubChem CID 103601783) has the molecular formula C9H5Br2ClN2O2S2 and a molecular weight of 432.55 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
PubChem CID103601783
Molecular FormulaC9H5Br2ClN2O2S2
Molecular Weight432.55 g/mol
Exact Mass429.78
IUPAC Name2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1cc(Br)sc1Br
InChIInChI=1S/C9H5Br2ClN2O2S2/c10-7-4-6(8(11)17-7)18(15,16)14-5-2-1-3-13-9(5)12/h1-4,14H
InChIKeyZIUYYENXEYXUMO-UHFFFAOYSA-N
XLogP4.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.12
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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Related Compounds

2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
CID 116798850
4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
CID 4994113
2,5-dibromo-N-[2-(hydroxymethyl)phenyl]thiophene-3-sulfonamide
CID 60651453
2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 61108863
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
4-bromo-N-(2-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103709774
5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 61108865

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide (CID 103601783) is 2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide is O=S(=O)(Nc1cccnc1Cl)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide?
The InChIKey is ZIUYYENXEYXUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2ClN2O2S2/c10-7-4-6(8(11)17-7)18(15,16)14-5-2-1-3-13-9(5)12/h1-4,14H.
What are the key properties of 2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide?
2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide has a molecular weight of 432.55 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide is sourced from PubChem (CID 103601783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).