N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide

C12H20BrN3O2S — CID 106076772

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1ncc(Br)cc1C
InChIInChI=1S/C12H20BrN3O2S/c1-3-14-6-4-5-7-19(17,18)16-12-10(2)8-11(13)9-15-12/h8-9,14H,3-7H2,1-2H3,(H,15,16)
InChIKeySPAIZMFHNKJIGZ-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.28
Rot. Bonds8

About N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide

N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 106076772) has the molecular formula C12H20BrN3O2S and a molecular weight of 350.28 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID106076772
Molecular FormulaC12H20BrN3O2S
Molecular Weight350.28 g/mol
Exact Mass349.05
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1ncc(Br)cc1C
InChIInChI=1S/C12H20BrN3O2S/c1-3-14-6-4-5-7-19(17,18)16-12-10(2)8-11(13)9-15-12/h8-9,14H,3-7H2,1-2H3,(H,15,16)
InChIKeySPAIZMFHNKJIGZ-UHFFFAOYSA-N
XLogP2.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106076811
N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
CID 106062119
N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide
CID 81422841
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-(2-bromo-4,6-dimethylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106072927
3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
CID 106088035
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078934
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 103171723
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 114142503
3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
CID 114258136

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide (CID 106076772) is N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1ncc(Br)cc1C.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is SPAIZMFHNKJIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2S/c1-3-14-6-4-5-7-19(17,18)16-12-10(2)8-11(13)9-15-12/h8-9,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 350.28 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 106076772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).