4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide

C15H18BrNO3S — CID 65482008

IUPAC4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
SMILESCC(CCc1ccco1)NS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H18BrNO3S/c1-12(4-7-14-3-2-10-20-14)17-21(18,19)15-8-5-13(11-16)6-9-15/h2-3,5-6,8-10,12,17H,4,7,11H2,1H3
InChIKeyWWXJFMVYPKRPSM-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.47
Rot. Bonds7

About 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide

4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide (PubChem CID 65482008) has the molecular formula C15H18BrNO3S and a molecular weight of 372.28 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
PubChem CID65482008
Molecular FormulaC15H18BrNO3S
Molecular Weight372.28 g/mol
Exact Mass371.02
IUPAC Name4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
SMILESCC(CCc1ccco1)NS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H18BrNO3S/c1-12(4-7-14-3-2-10-20-14)17-21(18,19)15-8-5-13(11-16)6-9-15/h2-3,5-6,8-10,12,17H,4,7,11H2,1H3
InChIKeyWWXJFMVYPKRPSM-UHFFFAOYSA-N
XLogP3.47
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61248919
3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 39949050
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
4-(bromomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 65480832
2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 60652421
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8801198
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7354301
2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide
CID 61251576
3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide
CID 54967741

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide (CID 65482008) is 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide is CC(CCc1ccco1)NS(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is WWXJFMVYPKRPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3S/c1-12(4-7-14-3-2-10-20-14)17-21(18,19)15-8-5-13(11-16)6-9-15/h2-3,5-6,8-10,12,17H,4,7,11H2,1H3.
What are the key properties of 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide?
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 372.28 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 65482008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).