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

C11H17BrN4O2S — CID 55102157

IUPAC2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C11H17BrN4O2S/c12-9-7-10(11(13)14-8-9)19(17,18)15-3-6-16-4-1-2-5-16/h7-8,15H,1-6H2,(H2,13,14)
InChIKeyKLEPWSXTWGDAFF-UHFFFAOYSA-N
MW349.25 g/mol
LogP0.80
Rot. Bonds5

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

2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (PubChem CID 55102157) has the molecular formula C11H17BrN4O2S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
PubChem CID55102157
Molecular FormulaC11H17BrN4O2S
Molecular Weight349.25 g/mol
Exact Mass348.03
IUPAC Name2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCN1CCCC1
InChIInChI=1S/C11H17BrN4O2S/c12-9-7-10(11(13)14-8-9)19(17,18)15-3-6-16-4-1-2-5-16/h7-8,15H,1-6H2,(H2,13,14)
InChIKeyKLEPWSXTWGDAFF-UHFFFAOYSA-N
XLogP0.80
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463
2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 115748638
2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
CID 46272025
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide
CID 62146514
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
CID 62156630
2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
CID 46272050
2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide
CID 115119268
2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64525350

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (CID 55102157) is 2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)NCCN1CCCC1.
What is the InChIKey of 2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The InChIKey is KLEPWSXTWGDAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2S/c12-9-7-10(11(13)14-8-9)19(17,18)15-3-6-16-4-1-2-5-16/h7-8,15H,1-6H2,(H2,13,14).
What are the key properties of 2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide has a molecular weight of 349.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 55102157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).