5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide

C13H20BrN3O2S — CID 79356421

IUPAC5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C13H20BrN3O2S/c1-12(2)11(13(12,3)4)17-20(18,19)9-6-8(14)7-16-10(9)15-5/h6-7,11,17H,1-5H3,(H,15,16)
InChIKeyZOFQXJSCPIZTBR-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.60
Rot. Bonds4

About 5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide

5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide (PubChem CID 79356421) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
PubChem CID79356421
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C13H20BrN3O2S/c1-12(2)11(13(12,3)4)17-20(18,19)9-6-8(14)7-16-10(9)15-5/h6-7,11,17H,1-5H3,(H,15,16)
InChIKeyZOFQXJSCPIZTBR-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide (CID 79356421) is 5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NC1C(C)(C)C1(C)C.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide?
The InChIKey is ZOFQXJSCPIZTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-12(2)11(13(12,3)4)17-20(18,19)9-6-8(14)7-16-10(9)15-5/h6-7,11,17H,1-5H3,(H,15,16).
What are the key properties of 5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 79356421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).