2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide

C8H13BrN4O4S2 — CID 62158912

IUPAC2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C8H13BrN4O4S2/c9-6-4-7(8(10)12-5-6)19(16,17)13-2-1-3-18(11,14)15/h4-5,13H,1-3H2,(H2,10,12)(H2,11,14,15)
InChIKeyHAPYKJIPYBYDBP-UHFFFAOYSA-N
MW373.25 g/mol
LogP-0.62
Rot. Bonds6

About 2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide (PubChem CID 62158912) has the molecular formula C8H13BrN4O4S2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
PubChem CID62158912
Molecular FormulaC8H13BrN4O4S2
Molecular Weight373.25 g/mol
Exact Mass371.96
IUPAC Name2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C8H13BrN4O4S2/c9-6-4-7(8(10)12-5-6)19(16,17)13-2-1-3-18(11,14)15/h4-5,13H,1-3H2,(H2,10,12)(H2,11,14,15)
InChIKeyHAPYKJIPYBYDBP-UHFFFAOYSA-N
XLogP-0.62
TPSA145.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
CID 62156630
2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide
CID 62146514
2-amino-5-bromo-N-(5-methylsulfanylpentyl)pyridine-3-sulfonamide
CID 104922252
2-amino-5-bromo-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 22515915
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 115748638
2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 55102157
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64525350
3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114587

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide (CID 62158912) is 2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide?
The InChIKey is HAPYKJIPYBYDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O4S2/c9-6-4-7(8(10)12-5-6)19(16,17)13-2-1-3-18(11,14)15/h4-5,13H,1-3H2,(H2,10,12)(H2,11,14,15).
What are the key properties of 2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide has a molecular weight of 373.25 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62158912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).