N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide

C13H21BrN2O2S — CID 107158232

IUPACN-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
SMILESCC(C)CC(Br)CNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H21BrN2O2S/c1-11(2)9-12(14)10-16-19(17,18)8-6-13-5-3-4-7-15-13/h3-5,7,11-12,16H,6,8-10H2,1-2H3
InChIKeyUGNYTZYOLAHUCB-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.35
Rot. Bonds8

About N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide

N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 107158232) has the molecular formula C13H21BrN2O2S and a molecular weight of 349.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID107158232
Molecular FormulaC13H21BrN2O2S
Molecular Weight349.29 g/mol
Exact Mass348.05
IUPAC NameN-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
SMILESCC(C)CC(Br)CNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H21BrN2O2S/c1-11(2)9-12(14)10-16-19(17,18)8-6-13-5-3-4-7-15-13/h3-5,7,11-12,16H,6,8-10H2,1-2H3
InChIKeyUGNYTZYOLAHUCB-UHFFFAOYSA-N
XLogP2.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.35
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

3-methyl-2-[(2-pyridin-2-ylethylsulfonylamino)methyl]butanoic acid
CID 65220958
N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide
CID 65030639
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 106154324
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 114011018
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide (CID 107158232) is N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide is CC(C)CC(Br)CNS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is UGNYTZYOLAHUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S/c1-11(2)9-12(14)10-16-19(17,18)8-6-13-5-3-4-7-15-13/h3-5,7,11-12,16H,6,8-10H2,1-2H3.
What are the key properties of N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide?
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 349.29 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 107158232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).