5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide

C11H16BrClN2O3S — CID 5009141

IUPAC5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C11H16BrClN2O3S/c1-8(2)18-5-3-4-15-19(16,17)9-6-10(12)11(13)14-7-9/h6-8,15H,3-5H2,1-2H3
InChIKeyCFWOEJXFMNLVTH-UHFFFAOYSA-N
MW371.68 g/mol
LogP2.59
Rot. Bonds7

About 5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide

5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide (PubChem CID 5009141) has the molecular formula C11H16BrClN2O3S and a molecular weight of 371.68 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
PubChem CID5009141
Molecular FormulaC11H16BrClN2O3S
Molecular Weight371.68 g/mol
Exact Mass369.98
IUPAC Name5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C11H16BrClN2O3S/c1-8(2)18-5-3-4-15-19(16,17)9-6-10(12)11(13)14-7-9/h6-8,15H,3-5H2,1-2H3
InChIKeyCFWOEJXFMNLVTH-UHFFFAOYSA-N
XLogP2.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.68
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide
CID 3590285
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyrimidine-5-sulfonamide
CID 106014818
2-amino-5-bromo-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 22515915
5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 4686096
4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 113431383
6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide
CID 106012409
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
5-bromo-6-chloro-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-sulfonamide
CID 74224289
3-(aminomethyl)-4-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106094494
5-bromo-6-chloro-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]pyridine-3-sulfonamide;hydrochloride
CID 169425649
5-bromo-2-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 33143864

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide (CID 5009141) is 5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide is CC(C)OCCCNS(=O)(=O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide?
The InChIKey is CFWOEJXFMNLVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O3S/c1-8(2)18-5-3-4-15-19(16,17)9-6-10(12)11(13)14-7-9/h6-8,15H,3-5H2,1-2H3.
What are the key properties of 5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide?
5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide has a molecular weight of 371.68 g/mol, XLogP of 2.59, 7 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-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 5009141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).