5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide

C13H20BrClN2O3S — CID 61299294

IUPAC5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H20BrClN2O3S/c1-2-3-4-5-6-17(7-8-18)21(19,20)12-9-11(14)10-16-13(12)15/h9-10,18H,2-8H2,1H3
InChIKeyOLQLZABVDKSMBO-UHFFFAOYSA-N
MW399.74 g/mol
LogP3.06
Rot. Bonds9

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

5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide (PubChem CID 61299294) has the molecular formula C13H20BrClN2O3S and a molecular weight of 399.74 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
PubChem CID61299294
Molecular FormulaC13H20BrClN2O3S
Molecular Weight399.74 g/mol
Exact Mass398.01
IUPAC Name5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESCCCCCCN(CCO)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H20BrClN2O3S/c1-2-3-4-5-6-17(7-8-18)21(19,20)12-9-11(14)10-16-13(12)15/h9-10,18H,2-8H2,1H3
InChIKeyOLQLZABVDKSMBO-UHFFFAOYSA-N
XLogP3.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.74
LogP ≤ 53.06
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

5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720
2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61045189
5-bromo-N-butyl-2-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 62159278
5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide
CID 61060925
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
CID 62157146
5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 54978681
2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111458
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
5-bromo-2-[4-bromo-2-[di(pentadecyl)sulfamoyl]phenyl]benzenesulfonamide
CID 69025623
2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide
CID 74229500
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide (CID 61299294) is 5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide is CCCCCCN(CCO)S(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The InChIKey is OLQLZABVDKSMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2O3S/c1-2-3-4-5-6-17(7-8-18)21(19,20)12-9-11(14)10-16-13(12)15/h9-10,18H,2-8H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide has a molecular weight of 399.74 g/mol, XLogP of 3.06, 9 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-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61299294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).