N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide

C17H17NO5S — CID 131702585

IUPACN-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC(c1ccco1)c1ccco1
InChIInChI=1S/C17H17NO5S/c1-21-16-6-2-3-9-17(16)24(19,20)18-12-13(14-7-4-10-22-14)15-8-5-11-23-15/h2-11,13,18H,12H2,1H3
InChIKeyYFTMQCXBJQGISO-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.99
Rot. Bonds7

About N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide

N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 131702585) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID131702585
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC NameN-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC(c1ccco1)c1ccco1
InChIInChI=1S/C17H17NO5S/c1-21-16-6-2-3-9-17(16)24(19,20)18-12-13(14-7-4-10-22-14)15-8-5-11-23-15/h2-11,13,18H,12H2,1H3
InChIKeyYFTMQCXBJQGISO-UHFFFAOYSA-N
XLogP2.99
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 131702587
N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide
CID 131702588
5-[2,2-bis(furan-2-yl)ethylsulfamoyl]-2-methoxybenzamide
CID 131703692
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 1391150
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 90605128
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]benzenesulfonamide
CID 99876447
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 41193057
methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate
CID 95981928
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 121034447

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide (CID 131702585) is N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCC(c1ccco1)c1ccco1.
What is the InChIKey of N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is YFTMQCXBJQGISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-21-16-6-2-3-9-17(16)24(19,20)18-12-13(14-7-4-10-22-14)15-8-5-11-23-15/h2-11,13,18H,12H2,1H3.
What are the key properties of N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide?
N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 347.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 131702585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).