5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide

C10H8BrClN2O3S — CID 1034230

IUPAC5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C10H8BrClN2O3S/c11-9-4-8(6-13-10(9)12)18(15,16)14-5-7-2-1-3-17-7/h1-4,6,14H,5H2
InChIKeyWIJZDCWKKZXSRE-UHFFFAOYSA-N
MW351.61 g/mol
LogP2.57
Rot. Bonds4

About 5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide

5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 1034230) has the molecular formula C10H8BrClN2O3S and a molecular weight of 351.61 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID1034230
Molecular FormulaC10H8BrClN2O3S
Molecular Weight351.61 g/mol
Exact Mass349.91
IUPAC Name5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C10H8BrClN2O3S/c11-9-4-8(6-13-10(9)12)18(15,16)14-5-7-2-1-3-17-7/h1-4,6,14H,5H2
InChIKeyWIJZDCWKKZXSRE-UHFFFAOYSA-N
XLogP2.57
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.61
LogP ≤ 52.57
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

3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide
CID 3838244
4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26944366
4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide
CID 16645093
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
methyl 2-bromo-5-(furan-2-ylmethylsulfamoyl)benzoate
CID 51289514
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide
CID 4067948
5-bromo-6-chloro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine-3-sulfonamide
CID 3535479
4-bromo-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 31541890
3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 934514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide (CID 1034230) is 5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCc1ccco1)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is WIJZDCWKKZXSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O3S/c11-9-4-8(6-13-10(9)12)18(15,16)14-5-7-2-1-3-17-7/h1-4,6,14H,5H2.
What are the key properties of 5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide?
5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 351.61 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 1034230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).