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

C10H16BrN3O3S — CID 62145502

IUPAC5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C10H16BrN3O3S/c1-3-12-10-9(6-8(11)7-13-10)18(16,17)14(2)4-5-15/h6-7,15H,3-5H2,1-2H3,(H,12,13)
InChIKeyKMWJAAMYICDPQP-UHFFFAOYSA-N
MW338.23 g/mol
LogP0.89
Rot. Bonds6

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

5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide (PubChem CID 62145502) has the molecular formula C10H16BrN3O3S and a molecular weight of 338.23 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
PubChem CID62145502
Molecular FormulaC10H16BrN3O3S
Molecular Weight338.23 g/mol
Exact Mass337.01
IUPAC Name5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C10H16BrN3O3S/c1-3-12-10-9(6-8(11)7-13-10)18(16,17)14(2)4-5-15/h6-7,15H,3-5H2,1-2H3,(H,12,13)
InChIKeyKMWJAAMYICDPQP-UHFFFAOYSA-N
XLogP0.89
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide (CID 62145502) is 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)N(C)CCO.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is KMWJAAMYICDPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O3S/c1-3-12-10-9(6-8(11)7-13-10)18(16,17)14(2)4-5-15/h6-7,15H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 338.23 g/mol, XLogP of 0.89, 6 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-methylpyridine-3-sulfonamide is sourced from PubChem (CID 62145502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).