1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide

C8H12BrNO3S — CID 83084663

IUPAC1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)CBr)o1
InChIInChI=1S/C8H12BrNO3S/c1-6-3-4-8(13-6)7(2)10-14(11,12)5-9/h3-4,7,10H,5H2,1-2H3
InChIKeyRNOASNLHEKLPQU-UHFFFAOYSA-N
MW282.16 g/mol
LogP1.92
Rot. Bonds4

About 1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide

1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide (PubChem CID 83084663) has the molecular formula C8H12BrNO3S and a molecular weight of 282.16 g/mol. Its IUPAC name is 1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide
PubChem CID83084663
Molecular FormulaC8H12BrNO3S
Molecular Weight282.16 g/mol
Exact Mass280.97
IUPAC Name1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)CBr)o1
InChIInChI=1S/C8H12BrNO3S/c1-6-3-4-8(13-6)7(2)10-14(11,12)5-9/h3-4,7,10H,5H2,1-2H3
InChIKeyRNOASNLHEKLPQU-UHFFFAOYSA-N
XLogP1.92
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 51.92
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

4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 54958432
4-(ethylamino)-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 106003380
N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]ethanesulfonamide
CID 102676052
N-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]propane-1-sulfonamide
CID 75504665
3-ethylsulfonyl-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 65092779
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106611673
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]azepane-1-sulfonamide
CID 30288270
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
CID 29355029

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide (CID 83084663) is 1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide is Cc1ccc(C(C)NS(=O)(=O)CBr)o1.
What is the InChIKey of 1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide?
The InChIKey is RNOASNLHEKLPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO3S/c1-6-3-4-8(13-6)7(2)10-14(11,12)5-9/h3-4,7,10H,5H2,1-2H3.
What are the key properties of 1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide?
1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide has a molecular weight of 282.16 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 83084663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).