5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide

C12H12BrClN2O2S2 — CID 61223337

IUPAC5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H12BrClN2O2S2/c1-8(4-9-2-3-19-7-9)16-20(17,18)11-5-10(13)6-15-12(11)14/h2-3,5-8,16H,4H2,1H3
InChIKeyQGNHHSXYPABZJK-UHFFFAOYSA-N
MW395.73 g/mol
LogP3.47
Rot. Bonds5

About 5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide (PubChem CID 61223337) has the molecular formula C12H12BrClN2O2S2 and a molecular weight of 395.73 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
PubChem CID61223337
Molecular FormulaC12H12BrClN2O2S2
Molecular Weight395.73 g/mol
Exact Mass393.92
IUPAC Name5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H12BrClN2O2S2/c1-8(4-9-2-3-19-7-9)16-20(17,18)11-5-10(13)6-15-12(11)14/h2-3,5-8,16H,4H2,1H3
InChIKeyQGNHHSXYPABZJK-UHFFFAOYSA-N
XLogP3.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 53.47
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

4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 63420478
5-bromo-2-chloro-N-(4-hydroxypentan-2-yl)pyridine-3-sulfonamide
CID 113376188
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474983
6-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 64602655
5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 103582447
5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 54954014
5-bromo-2-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65049278
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
5-bromo-2-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 62176839
4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 65479835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide (CID 61223337) is 5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide is CC(Cc1ccsc1)NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is QGNHHSXYPABZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2S2/c1-8(4-9-2-3-19-7-9)16-20(17,18)11-5-10(13)6-15-12(11)14/h2-3,5-8,16H,4H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 395.73 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61223337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).