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

C10H12BrClN2O3S — CID 3770012

IUPAC5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C10H12BrClN2O3S/c11-9-4-8(6-13-10(9)12)18(15,16)14-5-7-2-1-3-17-7/h4,6-7,14H,1-3,5H2
InChIKeyZPULEELXLKAJLW-UHFFFAOYSA-N
MW355.64 g/mol
LogP1.95
Rot. Bonds4

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

5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 3770012) has the molecular formula C10H12BrClN2O3S and a molecular weight of 355.64 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID3770012
Molecular FormulaC10H12BrClN2O3S
Molecular Weight355.64 g/mol
Exact Mass353.94
IUPAC Name5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C10H12BrClN2O3S/c11-9-4-8(6-13-10(9)12)18(15,16)14-5-7-2-1-3-17-7/h4,6-7,14H,1-3,5H2
InChIKeyZPULEELXLKAJLW-UHFFFAOYSA-N
XLogP1.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.64
LogP ≤ 51.95
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 5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide (CID 3770012) is 5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-(oxolan-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-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is ZPULEELXLKAJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O3S/c11-9-4-8(6-13-10(9)12)18(15,16)14-5-7-2-1-3-17-7/h4,6-7,14H,1-3,5H2.
What are the key properties of 5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
5-bromo-6-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 355.64 g/mol, XLogP of 1.95, 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-(oxolan-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 3770012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).