4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide

C15H19NO4S — CID 53279766

IUPAC4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCc2ccco2)cc1
InChIInChI=1S/C15H19NO4S/c1-2-19-14-7-9-15(10-8-14)21(17,18)16-11-3-5-13-6-4-12-20-13/h4,6-10,12,16H,2-3,5,11H2,1H3
InChIKeyKBTAQCCBGNQBOJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.59
Rot. Bonds8

About 4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide

4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide (PubChem CID 53279766) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide
PubChem CID53279766
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCc2ccco2)cc1
InChIInChI=1S/C15H19NO4S/c1-2-19-14-7-9-15(10-8-14)21(17,18)16-11-3-5-13-6-4-12-20-13/h4,6-10,12,16H,2-3,5,11H2,1H3
InChIKeyKBTAQCCBGNQBOJ-UHFFFAOYSA-N
XLogP2.59
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.59
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

4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
4-[(Z)-N-[(4-ethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 29354790
4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 121085972
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide
CID 110315806
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-[3-(furan-2-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284122
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[3-(furan-2-yl)propyl]acetamide
CID 53279122
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide (CID 53279766) is 4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCCc2ccco2)cc1.
What is the InChIKey of 4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide?
The InChIKey is KBTAQCCBGNQBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-2-19-14-7-9-15(10-8-14)21(17,18)16-11-3-5-13-6-4-12-20-13/h4,6-10,12,16H,2-3,5,11H2,1H3.
What are the key properties of 4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide?
4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 53279766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).