5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide

C9H14BrN3O3S — CID 62145501

IUPAC5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C9H14BrN3O3S/c1-11-9-8(5-7(10)6-12-9)17(15,16)13(2)3-4-14/h5-6,14H,3-4H2,1-2H3,(H,11,12)
InChIKeyXFZJTIGZTNNZKC-UHFFFAOYSA-N
MW324.20 g/mol
LogP0.50
Rot. Bonds5

About 5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide

5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 62145501) has the molecular formula C9H14BrN3O3S and a molecular weight of 324.20 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
PubChem CID62145501
Molecular FormulaC9H14BrN3O3S
Molecular Weight324.20 g/mol
Exact Mass322.99
IUPAC Name5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C9H14BrN3O3S/c1-11-9-8(5-7(10)6-12-9)17(15,16)13(2)3-4-14/h5-6,14H,3-4H2,1-2H3,(H,11,12)
InChIKeyXFZJTIGZTNNZKC-UHFFFAOYSA-N
XLogP0.50
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
CID 62145502
5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 63727213
5-bromo-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61300273
5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 55044408
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159191
5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 63706424
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
CID 62157146
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-N-butyl-2-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 62159278
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62149019
5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62336097
5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 79377760

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide (CID 62145501) is 5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)N(C)CCO.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is XFZJTIGZTNNZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O3S/c1-11-9-8(5-7(10)6-12-9)17(15,16)13(2)3-4-14/h5-6,14H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 324.20 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62145501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).