N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide

C19H20FNO4S — CID 119103405

IUPACN-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCc2cc3ccccc3o2)cc1F
InChIInChI=1S/C19H20FNO4S/c1-2-24-19-10-9-16(13-17(19)20)26(22,23)21-11-5-7-15-12-14-6-3-4-8-18(14)25-15/h3-4,6,8-10,12-13,21H,2,5,7,11H2,1H3
InChIKeyHSNIFCQQYCFCIV-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.88
Rot. Bonds8

About N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide

N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide (PubChem CID 119103405) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide
PubChem CID119103405
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC NameN-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCc2cc3ccccc3o2)cc1F
InChIInChI=1S/C19H20FNO4S/c1-2-24-19-10-9-16(13-17(19)20)26(22,23)21-11-5-7-15-12-14-6-3-4-8-18(14)25-15/h3-4,6,8-10,12-13,21H,2,5,7,11H2,1H3
InChIKeyHSNIFCQQYCFCIV-UHFFFAOYSA-N
XLogP3.88
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.88
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

(2S)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4-sulfonamido}butanoic acid
CID 25263245
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-4-methylbenzenesulfonamide
CID 2937841
(2R)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4-sulfonamido}butanoic acid
CID 25263244
N-[2-(4-methoxyphenoxy)ethyl]dibenzofuran-2-sulfonamide
CID 2059917
Dibenzofuran-2-sulfonic acid [2-(2-methoxy-phenoxy)-ethyl]-amide
CID 2296301
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 5196392
N-[3-(2-furanyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 2930513
N,N'-bis(tetrahydro-2-furanylmethyl)dibenzo[b,d]furan-2,8-disulfonamide
CID 2942509
N-[2-(2,2,2-trifluoroethoxy)ethyl]dibenzo[b,d]furan-2-sulfonamide
CID 2972762
N-((5-hydroxy-1,3,3-trimethylcyclohexyl)methyl)dibenzo[b,d]furan-2-sulfonamide
CID 11835767
N-methyl-N-(2-phenoxyethyl)dibenzofuran-2-sulfonamide
CID 2295500
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]benzenesulfonamide
CID 3848428

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide (CID 119103405) is N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCCc2cc3ccccc3o2)cc1F.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide?
The InChIKey is HSNIFCQQYCFCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-2-24-19-10-9-16(13-17(19)20)26(22,23)21-11-5-7-15-12-14-6-3-4-8-18(14)25-15/h3-4,6,8-10,12-13,21H,2,5,7,11H2,1H3.
What are the key properties of N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide?
N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide has a molecular weight of 377.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)propyl]-4-ethoxy-3-fluorobenzenesulfonamide is sourced from PubChem (CID 119103405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).