5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide

C11H19BrN4O2S — CID 63727213

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)N(C)CCN(C)C
InChIInChI=1S/C11H19BrN4O2S/c1-13-11-10(7-9(12)8-14-11)19(17,18)16(4)6-5-15(2)3/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyAPGOCTWGBABTLA-UHFFFAOYSA-N
MW351.27 g/mol
LogP1.07
Rot. Bonds6

About 5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide

5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 63727213) has the molecular formula C11H19BrN4O2S and a molecular weight of 351.27 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
PubChem CID63727213
Molecular FormulaC11H19BrN4O2S
Molecular Weight351.27 g/mol
Exact Mass350.04
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)N(C)CCN(C)C
InChIInChI=1S/C11H19BrN4O2S/c1-13-11-10(7-9(12)8-14-11)19(17,18)16(4)6-5-15(2)3/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyAPGOCTWGBABTLA-UHFFFAOYSA-N
XLogP1.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide (CID 63727213) is 5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)N(C)CCN(C)C.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is APGOCTWGBABTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O2S/c1-13-11-10(7-9(12)8-14-11)19(17,18)16(4)6-5-15(2)3/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 351.27 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63727213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).