2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide

C18H23BrN2O4S — CID 30549771

IUPAC2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1Br
InChIInChI=1S/C18H23BrN2O4S/c1-2-3-4-5-10-20-18(22)16-12-15(8-9-17(16)19)26(23,24)21-13-14-7-6-11-25-14/h6-9,11-12,21H,2-5,10,13H2,1H3,(H,20,22)
InChIKeyCEXGOZSYBUTEAA-UHFFFAOYSA-N
MW443.36 g/mol
LogP3.83
Rot. Bonds10

About 2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide

2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide (PubChem CID 30549771) has the molecular formula C18H23BrN2O4S and a molecular weight of 443.36 g/mol. Its IUPAC name is 2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide.

Molecular Properties

Compound Name2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide
PubChem CID30549771
Molecular FormulaC18H23BrN2O4S
Molecular Weight443.36 g/mol
Exact Mass442.06
IUPAC Name2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1Br
InChIInChI=1S/C18H23BrN2O4S/c1-2-3-4-5-10-20-18(22)16-12-15(8-9-17(16)19)26(23,24)21-13-14-7-6-11-25-14/h6-9,11-12,21H,2-5,10,13H2,1H3,(H,20,22)
InChIKeyCEXGOZSYBUTEAA-UHFFFAOYSA-N
XLogP3.83
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-bromo-5-(furan-2-ylmethylsulfamoyl)benzoate
CID 51289514
methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
CID 55349906
4-bromo-N-(furan-2-ylmethyl)-3-pentoxybenzenesulfonamide
CID 16645093
4-bromo-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 31541890
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 9401625
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 55628988
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
5-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17170978
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide?
The IUPAC name of 2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide (CID 30549771) is 2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide.
What is the SMILES notation for 2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide?
The canonical SMILES for 2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide is CCCCCCNC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1Br.
What is the InChIKey of 2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide?
The InChIKey is CEXGOZSYBUTEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O4S/c1-2-3-4-5-10-20-18(22)16-12-15(8-9-17(16)19)26(23,24)21-13-14-7-6-11-25-14/h6-9,11-12,21H,2-5,10,13H2,1H3,(H,20,22).
What are the key properties of 2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide?
2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide has a molecular weight of 443.36 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(furan-2-ylmethylsulfamoyl)-N-hexylbenzamide is sourced from PubChem (CID 30549771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).