N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide

C11H17BrN2O2S — CID 114298456

IUPACN-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCCC(CBr)NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C11H17BrN2O2S/c1-2-10(9-12)14-17(15,16)8-6-11-5-3-4-7-13-11/h3-5,7,10,14H,2,6,8-9H2,1H3
InChIKeyVUQCLGDOXMKNGS-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.72
Rot. Bonds7

About N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide

N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 114298456) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
PubChem CID114298456
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC NameN-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
SMILESCCC(CBr)NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C11H17BrN2O2S/c1-2-10(9-12)14-17(15,16)8-6-11-5-3-4-7-13-11/h3-5,7,10,14H,2,6,8-9H2,1H3
InChIKeyVUQCLGDOXMKNGS-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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-(1-aminopentan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 61133014
3-(2-pyridin-2-ylethylsulfonylamino)pentanethioamide
CID 55101780
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 114011018
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
CID 60865090
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746
(2R)-4-methylsulfanyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 104906602
N-[(1S)-1-naphthalen-2-ylethyl]-2-pyridin-2-ylethanesulfonamide
CID 25038859
5-(2-pyridin-2-ylethylsulfonylamino)hexanoic acid
CID 82854201
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide (CID 114298456) is N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide is CCC(CBr)NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is VUQCLGDOXMKNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-2-10(9-12)14-17(15,16)8-6-11-5-3-4-7-13-11/h3-5,7,10,14H,2,6,8-9H2,1H3.
What are the key properties of N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide?
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 114298456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).