N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide

C14H17NO5S — CID 110315806

IUPACN-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NOCCCc2ccco2)cc1
InChIInChI=1S/C14H17NO5S/c1-18-12-6-8-14(9-7-12)21(16,17)15-20-11-3-5-13-4-2-10-19-13/h2,4,6-10,15H,3,5,11H2,1H3
InChIKeyUDGIJAMCNRNWCQ-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.13
Rot. Bonds8

About N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide

N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide (PubChem CID 110315806) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide
PubChem CID110315806
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC NameN-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NOCCCc2ccco2)cc1
InChIInChI=1S/C14H17NO5S/c1-18-12-6-8-14(9-7-12)21(16,17)15-20-11-3-5-13-4-2-10-19-13/h2,4,6-10,15H,3,5,11H2,1H3
InChIKeyUDGIJAMCNRNWCQ-UHFFFAOYSA-N
XLogP2.13
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide
CID 110315822
methyl N-[3-(furan-2-yl)propoxy]carbamate
CID 110315779
4-ethoxy-N-[3-(furan-2-yl)propyl]benzenesulfonamide
CID 53279766
N-[3-(furan-2-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100588449
N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
CID 71444012
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxybenzenesulfonamide
CID 121145607
1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide
CID 110315838
N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 9185408
ethane;2-(3-methoxypropyl)furan
CID 144595726
N-(furan-2-ylmethyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126384368
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide (CID 110315806) is N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NOCCCc2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide?
The InChIKey is UDGIJAMCNRNWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c1-18-12-6-8-14(9-7-12)21(16,17)15-20-11-3-5-13-4-2-10-19-13/h2,4,6-10,15H,3,5,11H2,1H3.
What are the key properties of N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide?
N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110315806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).