2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide

C11H17BrN4O3S — CID 62159404

IUPAC2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NC(C)C(=O)NC
InChIInChI=1S/C11H17BrN4O3S/c1-4-14-10-9(5-8(12)6-15-10)20(18,19)16-7(2)11(17)13-3/h5-7,16H,4H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyGRZNJJUGMNLOJY-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.69
Rot. Bonds6

About 2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide

2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide (PubChem CID 62159404) has the molecular formula C11H17BrN4O3S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide
PubChem CID62159404
Molecular FormulaC11H17BrN4O3S
Molecular Weight365.25 g/mol
Exact Mass364.02
IUPAC Name2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NC(C)C(=O)NC
InChIInChI=1S/C11H17BrN4O3S/c1-4-14-10-9(5-8(12)6-15-10)20(18,19)16-7(2)11(17)13-3/h5-7,16H,4H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyGRZNJJUGMNLOJY-UHFFFAOYSA-N
XLogP0.69
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701
5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148004
5-bromo-2-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765396
ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61498779
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
2-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 114379316
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347101
5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63962280
5-bromo-2-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide?
The IUPAC name of 2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide (CID 62159404) is 2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide is CCNc1ncc(Br)cc1S(=O)(=O)NC(C)C(=O)NC.
What is the InChIKey of 2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide?
The InChIKey is GRZNJJUGMNLOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O3S/c1-4-14-10-9(5-8(12)6-15-10)20(18,19)16-7(2)11(17)13-3/h5-7,16H,4H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of 2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide?
2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide has a molecular weight of 365.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 62159404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).