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

C11H18BrN3O2S — CID 106062119

IUPACN-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1ncccc1Br
InChIInChI=1S/C11H18BrN3O2S/c1-2-13-7-3-4-9-18(16,17)15-11-10(12)6-5-8-14-11/h5-6,8,13H,2-4,7,9H2,1H3,(H,14,15)
InChIKeyFFJDPZMTJZNAEO-UHFFFAOYSA-N
MW336.26 g/mol
LogP1.98
Rot. Bonds8

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

N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 106062119) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID106062119
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC NameN-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1ncccc1Br
InChIInChI=1S/C11H18BrN3O2S/c1-2-13-7-3-4-9-18(16,17)15-11-10(12)6-5-8-14-11/h5-6,8,13H,2-4,7,9H2,1H3,(H,14,15)
InChIKeyFFJDPZMTJZNAEO-UHFFFAOYSA-N
XLogP1.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 51.98
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-(3-bromo-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106062206
N-(3-chloro-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106086632
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 114142503
N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
CID 106076772
N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106062129
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072
N-(2-bromo-4,6-dimethylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106072927
N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306363
N-(3-bromo-2-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106062188
1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide
CID 106062175
N-(2,6-dibromophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106088845

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide (CID 106062119) is N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is FFJDPZMTJZNAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-2-13-7-3-4-9-18(16,17)15-11-10(12)6-5-8-14-11/h5-6,8,13H,2-4,7,9H2,1H3,(H,14,15).
What are the key properties of N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide?
N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 336.26 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 106062119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).