4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide

C17H21NO4S — CID 169334601

IUPAC4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C17H21NO4S/c1-2-3-4-5-12-18-23(20,21)16-9-6-14(7-10-16)17-11-8-15(13-19)22-17/h6-11,13,18H,2-5,12H2,1H3
InChIKeySVJGSBCWEVVJQT-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.62
Rot. Bonds9

About 4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide

4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide (PubChem CID 169334601) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide.

Molecular Properties

Compound Name4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide
PubChem CID169334601
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C17H21NO4S/c1-2-3-4-5-12-18-23(20,21)16-9-6-14(7-10-16)17-11-8-15(13-19)22-17/h6-11,13,18H,2-5,12H2,1H3
InChIKeySVJGSBCWEVVJQT-UHFFFAOYSA-N
XLogP3.62
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(5-formylfuran-2-yl)benzenesulfonamide
CID 169332767
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258829
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
5-(4-pentoxyphenyl)furan-2-carbaldehyde
CID 169333298
N-tridecylbenzenesulfonamide
CID 3514704
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-(5-formylfuran-2-yl)-N-(1-phenylethyl)benzenesulfonamide
CID 169334164
4-(5-formylfuran-2-yl)-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
CID 169336206
methyl-[3-[(4-methylphenyl)sulfonylamino]propyl]-dioctylazanium
CID 58132126
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176

Frequently Asked Questions

What is the IUPAC name of 4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide?
The IUPAC name of 4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide (CID 169334601) is 4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide.
What is the SMILES notation for 4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide?
The canonical SMILES for 4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide is CCCCCCNS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of 4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide?
The InChIKey is SVJGSBCWEVVJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-2-3-4-5-12-18-23(20,21)16-9-6-14(7-10-16)17-11-8-15(13-19)22-17/h6-11,13,18H,2-5,12H2,1H3.
What are the key properties of 4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide?
4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylfuran-2-yl)-N-hexylbenzenesulfonamide is sourced from PubChem (CID 169334601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).