4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide

C16H20BrNO4S — CID 16645093

IUPAC4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide
SMILESCCCCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Br
InChIInChI=1S/C16H20BrNO4S/c1-2-3-4-9-22-16-11-14(7-8-15(16)17)23(19,20)18-12-13-6-5-10-21-13/h5-8,10-11,18H,2-4,9,12H2,1H3
InChIKeyFQDPBJFPSMPALG-UHFFFAOYSA-N
MW402.31 g/mol
LogP4.09
Rot. Bonds9

About 4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide

4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide (PubChem CID 16645093) has the molecular formula C16H20BrNO4S and a molecular weight of 402.31 g/mol. Its IUPAC name is 4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide
PubChem CID16645093
Molecular FormulaC16H20BrNO4S
Molecular Weight402.31 g/mol
Exact Mass401.03
IUPAC Name4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide
SMILESCCCCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Br
InChIInChI=1S/C16H20BrNO4S/c1-2-3-4-9-22-16-11-14(7-8-15(16)17)23(19,20)18-12-13-6-5-10-21-13/h5-8,10-11,18H,2-4,9,12H2,1H3
InChIKeyFQDPBJFPSMPALG-UHFFFAOYSA-N
XLogP4.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide
CID 30549771
5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17170978
3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 934514
methyl 2-bromo-5-(furan-2-ylmethylsulfamoyl)benzoate
CID 51289514
4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267851
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17170977
5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 1034230
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535
4-bromo-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 31541890
4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
CID 39845206

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide?
The IUPAC name of 4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide (CID 16645093) is 4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide is CCCCCOc1cc(S(=O)(=O)NCc2ccco2)ccc1Br.
What is the InChIKey of 4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide?
The InChIKey is FQDPBJFPSMPALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO4S/c1-2-3-4-9-22-16-11-14(7-8-15(16)17)23(19,20)18-12-13-6-5-10-21-13/h5-8,10-11,18H,2-4,9,12H2,1H3.
What are the key properties of 4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide?
4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide has a molecular weight of 402.31 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide is sourced from PubChem (CID 16645093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).