N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide

C11H17BrN2O2S — CID 114298822

IUPACN-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide
SMILESCCC(CCBr)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H17BrN2O2S/c1-2-10(5-6-12)8-14-17(15,16)11-4-3-7-13-9-11/h3-4,7,9-10,14H,2,5-6,8H2,1H3
InChIKeyMQXLTDGHXPMGDN-UHFFFAOYSA-N
MW321.24 g/mol
LogP2.17
Rot. Bonds7

About N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide

N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide (PubChem CID 114298822) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide
PubChem CID114298822
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC NameN-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide
SMILESCCC(CCBr)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C11H17BrN2O2S/c1-2-10(5-6-12)8-14-17(15,16)11-4-3-7-13-9-11/h3-4,7,9-10,14H,2,5-6,8H2,1H3
InChIKeyMQXLTDGHXPMGDN-UHFFFAOYSA-N
XLogP2.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
N-propylpyridine-3-sulfonamide
CID 43258995
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
CID 107158011
N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
CID 81259105
N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide
CID 106118415
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide (CID 114298822) is N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide is CCC(CCBr)CNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide?
The InChIKey is MQXLTDGHXPMGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-2-10(5-6-12)8-14-17(15,16)11-4-3-7-13-9-11/h3-4,7,9-10,14H,2,5-6,8H2,1H3.
What are the key properties of N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide?
N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide has a molecular weight of 321.24 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114298822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).