5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide

C10H12BrClN2O3S — CID 61072193

IUPAC5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide
SMILESC=COCCCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O3S/c1-2-17-5-3-4-14-18(15,16)9-6-8(11)7-13-10(9)12/h2,6-7,14H,1,3-5H2
InChIKeyYSMFIZFXMMAVBU-UHFFFAOYSA-N
MW355.64 g/mol
LogP2.33
Rot. Bonds7

About 5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide (PubChem CID 61072193) has the molecular formula C10H12BrClN2O3S and a molecular weight of 355.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide
PubChem CID61072193
Molecular FormulaC10H12BrClN2O3S
Molecular Weight355.64 g/mol
Exact Mass353.94
IUPAC Name5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide
SMILESC=COCCCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O3S/c1-2-17-5-3-4-14-18(15,16)9-6-8(11)7-13-10(9)12/h2,6-7,14H,1,3-5H2
InChIKeyYSMFIZFXMMAVBU-UHFFFAOYSA-N
XLogP2.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.64
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide
CID 60779783
4-bromo-2-chloro-N-(3-ethenoxypropyl)benzenesulfonamide
CID 60640063
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 61060719
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 115604204
5-bromo-2-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-sulfonamide
CID 60779869
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide (CID 61072193) is 5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide is C=COCCCNS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide?
The InChIKey is YSMFIZFXMMAVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O3S/c1-2-17-5-3-4-14-18(15,16)9-6-8(11)7-13-10(9)12/h2,6-7,14H,1,3-5H2.
What are the key properties of 5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide has a molecular weight of 355.64 g/mol, XLogP of 2.33, 7 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-(3-ethenoxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61072193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).