5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide

C12H20BrN3O3S — CID 62157146

IUPAC5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cc(Br)cnc1NCC
InChIInChI=1S/C12H20BrN3O3S/c1-3-5-16(6-7-17)20(18,19)11-8-10(13)9-15-12(11)14-4-2/h8-9,17H,3-7H2,1-2H3,(H,14,15)
InChIKeyGODNPQQQYYEJQM-UHFFFAOYSA-N
MW366.28 g/mol
LogP1.67
Rot. Bonds8

About 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide (PubChem CID 62157146) has the molecular formula C12H20BrN3O3S and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
PubChem CID62157146
Molecular FormulaC12H20BrN3O3S
Molecular Weight366.28 g/mol
Exact Mass365.04
IUPAC Name5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cc(Br)cnc1NCC
InChIInChI=1S/C12H20BrN3O3S/c1-3-5-16(6-7-17)20(18,19)11-8-10(13)9-15-12(11)14-4-2/h8-9,17H,3-7H2,1-2H3,(H,14,15)
InChIKeyGODNPQQQYYEJQM-UHFFFAOYSA-N
XLogP1.67
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-butyl-2-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 62159278
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
CID 62145502
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62157414
5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide
CID 63690095
5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152814
5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62145501
5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61299294
5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 55044408
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 62158890
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide (CID 62157146) is 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide is CCCN(CCO)S(=O)(=O)c1cc(Br)cnc1NCC.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide?
The InChIKey is GODNPQQQYYEJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O3S/c1-3-5-16(6-7-17)20(18,19)11-8-10(13)9-15-12(11)14-4-2/h8-9,17H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide has a molecular weight of 366.28 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 62157146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).