5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide

C11H14BrClN2O3S — CID 61061224

IUPAC5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2O3S/c1-18-5-4-15(9-2-3-9)19(16,17)10-6-8(12)7-14-11(10)13/h6-7,9H,2-5H2,1H3
InChIKeyHYSJAGCCHHDICR-UHFFFAOYSA-N
MW369.67 g/mol
LogP2.30
Rot. Bonds6

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

5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide (PubChem CID 61061224) has the molecular formula C11H14BrClN2O3S and a molecular weight of 369.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
PubChem CID61061224
Molecular FormulaC11H14BrClN2O3S
Molecular Weight369.67 g/mol
Exact Mass367.96
IUPAC Name5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2O3S/c1-18-5-4-15(9-2-3-9)19(16,17)10-6-8(12)7-14-11(10)13/h6-7,9H,2-5H2,1H3
InChIKeyHYSJAGCCHHDICR-UHFFFAOYSA-N
XLogP2.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
2,5-dibromo-N-cyclopropyl-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 80708665
5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide
CID 55766385
3-bromo-N-cyclopropyl-5-(hydroxymethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 81480450
4-amino-2,6-dibromo-N-cyclopropyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61109769
5-(aminomethyl)-3-bromo-N-cyclopropyl-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 81481397
2-(chloromethyl)-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 102920088
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049
5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720
5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152814
5-bromo-N-cyclopropyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 54995023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide (CID 61061224) is 5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide is COCCN(C1CC1)S(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide?
The InChIKey is HYSJAGCCHHDICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O3S/c1-18-5-4-15(9-2-3-9)19(16,17)10-6-8(12)7-14-11(10)13/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide has a molecular weight of 369.67 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61061224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).