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

C12H18BrN3O2S — CID 63209240

IUPAC5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H18BrN3O2S/c1-15(6-7-16-4-2-3-5-16)19(17,18)12-8-11(13)9-14-10-12/h8-10H,2-7H2,1H3
InChIKeyDSKGHEMLPPCZEW-UHFFFAOYSA-N
MW348.27 g/mol
LogP1.56
Rot. Bonds5

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

5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (PubChem CID 63209240) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
PubChem CID63209240
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H18BrN3O2S/c1-15(6-7-16-4-2-3-5-16)19(17,18)12-8-11(13)9-14-10-12/h8-10H,2-7H2,1H3
InChIKeyDSKGHEMLPPCZEW-UHFFFAOYSA-N
XLogP1.56
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (CID 63209240) is 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is CN(CCN1CCCC1)S(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The InChIKey is DSKGHEMLPPCZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-15(6-7-16-4-2-3-5-16)19(17,18)12-8-11(13)9-14-10-12/h8-10H,2-7H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide has a molecular weight of 348.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 63209240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).