3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide

C11H17BrN4O3S — CID 46272034

IUPAC3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C11H17BrN4O3S/c1-2-4-14-10(17)3-5-16-20(18,19)9-6-8(12)7-15-11(9)13/h6-7,16H,2-5H2,1H3,(H2,13,15)(H,14,17)
InChIKeyYKUXPPFDQWZTHL-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.62
Rot. Bonds7

About 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide (PubChem CID 46272034) has the molecular formula C11H17BrN4O3S and a molecular weight of 365.25 g/mol. Its IUPAC name is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
PubChem CID46272034
Molecular FormulaC11H17BrN4O3S
Molecular Weight365.25 g/mol
Exact Mass364.02
IUPAC Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C11H17BrN4O3S/c1-2-4-14-10(17)3-5-16-20(18,19)9-6-8(12)7-15-11(9)13/h6-7,16H,2-5H2,1H3,(H2,13,15)(H,14,17)
InChIKeyYKUXPPFDQWZTHL-UHFFFAOYSA-N
XLogP0.62
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide
CID 4086585
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 46272049
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 46272055
3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114587
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
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 61060914
2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
CID 46272050
3-[(4-bromo-2-chlorophenyl)sulfonylamino]-N-propylpropanamide
CID 61061030
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
2-amino-5-bromo-N-[4-(dimethylamino)butyl]pyridine-3-sulfonamide
CID 62156630

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide (CID 46272034) is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is YKUXPPFDQWZTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O3S/c1-2-4-14-10(17)3-5-16-20(18,19)9-6-8(12)7-15-11(9)13/h6-7,16H,2-5H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 365.25 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 46272034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).