5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide

C13H16BrN3O2S2 — CID 62156722

IUPAC5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C13H16BrN3O2S2/c1-9(11-5-4-6-20-11)17(3)21(18,19)12-7-10(14)8-16-13(12)15-2/h4-9H,1-3H3,(H,15,16)
InChIKeyOCESYVLTOVKWEX-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.33
Rot. Bonds5

About 5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide

5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide (PubChem CID 62156722) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
PubChem CID62156722
Molecular FormulaC13H16BrN3O2S2
Molecular Weight390.33 g/mol
Exact Mass388.99
IUPAC Name5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C13H16BrN3O2S2/c1-9(11-5-4-6-20-11)17(3)21(18,19)12-7-10(14)8-16-13(12)15-2/h4-9H,1-3H3,(H,15,16)
InChIKeyOCESYVLTOVKWEX-UHFFFAOYSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide (CID 62156722) is 5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)N(C)C(C)c1cccs1.
What is the InChIKey of 5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The InChIKey is OCESYVLTOVKWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c1-9(11-5-4-6-20-11)17(3)21(18,19)12-7-10(14)8-16-13(12)15-2/h4-9H,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide?
5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide has a molecular weight of 390.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62156722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).