5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide

C24H27BrN2O5S — CID 17170978

IUPAC5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H27BrN2O5S/c1-2-3-4-5-14-32-23-13-8-18(25)16-22(23)24(28)27-19-9-11-21(12-10-19)33(29,30)26-17-20-7-6-15-31-20/h6-13,15-16,26H,2-5,14,17H2,1H3,(H,27,28)
InChIKeyVFAUHMRGCCRPOS-UHFFFAOYSA-N
MW535.46 g/mol
LogP5.73
Rot. Bonds12

About 5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide

5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide (PubChem CID 17170978) has the molecular formula C24H27BrN2O5S and a molecular weight of 535.46 g/mol. Its IUPAC name is 5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide
PubChem CID17170978
Molecular FormulaC24H27BrN2O5S
Molecular Weight535.46 g/mol
Exact Mass534.08
IUPAC Name5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H27BrN2O5S/c1-2-3-4-5-14-32-23-13-8-18(25)16-22(23)24(28)27-19-9-11-21(12-10-19)33(29,30)26-17-20-7-6-15-31-20/h6-13,15-16,26H,2-5,14,17H2,1H3,(H,27,28)
InChIKeyVFAUHMRGCCRPOS-UHFFFAOYSA-N
XLogP5.73
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.46
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-ethoxy-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17171112
5-bromo-2-hexoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17343328
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17170977
5-bromo-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17171120
5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17343317
5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17349933
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17343418
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide
CID 16645093
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide?
The IUPAC name of 5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide (CID 17170978) is 5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide?
The canonical SMILES for 5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide is CCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide?
The InChIKey is VFAUHMRGCCRPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O5S/c1-2-3-4-5-14-32-23-13-8-18(25)16-22(23)24(28)27-19-9-11-21(12-10-19)33(29,30)26-17-20-7-6-15-31-20/h6-13,15-16,26H,2-5,14,17H2,1H3,(H,27,28).
What are the key properties of 5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide?
5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide has a molecular weight of 535.46 g/mol, XLogP of 5.73, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide is sourced from PubChem (CID 17170978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).