2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide

C11H19BrN4O2S — CID 62156630

IUPAC2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
SMILESCN(C)CCCCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C11H19BrN4O2S/c1-16(2)6-4-3-5-15-19(17,18)10-7-9(12)8-14-11(10)13/h7-8,15H,3-6H2,1-2H3,(H2,13,14)
InChIKeyFAFJWFNYJMGILK-UHFFFAOYSA-N
MW351.27 g/mol
LogP1.05
Rot. Bonds7

About 2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide (PubChem CID 62156630) has the molecular formula C11H19BrN4O2S and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
PubChem CID62156630
Molecular FormulaC11H19BrN4O2S
Molecular Weight351.27 g/mol
Exact Mass350.04
IUPAC Name2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
SMILESCN(C)CCCCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C11H19BrN4O2S/c1-16(2)6-4-3-5-15-19(17,18)10-7-9(12)8-14-11(10)13/h7-8,15H,3-6H2,1-2H3,(H2,13,14)
InChIKeyFAFJWFNYJMGILK-UHFFFAOYSA-N
XLogP1.05
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
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
3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114587
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide
CID 62146514
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
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
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide (CID 62156630) is 2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide is CN(C)CCCCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide?
The InChIKey is FAFJWFNYJMGILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O2S/c1-16(2)6-4-3-5-15-19(17,18)10-7-9(12)8-14-11(10)13/h7-8,15H,3-6H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide has a molecular weight of 351.27 g/mol, XLogP of 1.05, 7 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-[4-(dimethylamino)butyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62156630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).