N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide

C15H19NO6S — CID 110315822

IUPACN-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NOCCCc2ccco2)c1
InChIInChI=1S/C15H19NO6S/c1-19-13-7-8-14(20-2)15(11-13)23(17,18)16-22-10-4-6-12-5-3-9-21-12/h3,5,7-9,11,16H,4,6,10H2,1-2H3
InChIKeyJVTCXRJZAYLYHJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.14
Rot. Bonds9

About N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide

N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide (PubChem CID 110315822) has the molecular formula C15H19NO6S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide
PubChem CID110315822
Molecular FormulaC15H19NO6S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC NameN-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NOCCCc2ccco2)c1
InChIInChI=1S/C15H19NO6S/c1-19-13-7-8-14(20-2)15(11-13)23(17,18)16-22-10-4-6-12-5-3-9-21-12/h3,5,7-9,11,16H,4,6,10H2,1-2H3
InChIKeyJVTCXRJZAYLYHJ-UHFFFAOYSA-N
XLogP2.14
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]-4-methoxybenzenesulfonamide
CID 110315806
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414
2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110642838
methyl N-[3-(furan-2-yl)propoxy]carbamate
CID 110315779
1-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-one
CID 105098345
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
CID 71444012
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-(furan-2-ylmethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 110759282
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide
CID 110315838

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide (CID 110315822) is N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NOCCCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is JVTCXRJZAYLYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-19-13-7-8-14(20-2)15(11-13)23(17,18)16-22-10-4-6-12-5-3-9-21-12/h3,5,7-9,11,16H,4,6,10H2,1-2H3.
What are the key properties of N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide?
N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110315822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).