5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide

C15H19NO4S — CID 934715

IUPAC5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccco2)c(C)cc1C
InChIInChI=1S/C15H19NO4S/c1-4-19-14-9-15(12(3)8-11(14)2)21(17,18)16-10-13-6-5-7-20-13/h5-9,16H,4,10H2,1-3H3
InChIKeyFGEBKQZQZOKTCI-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.77
Rot. Bonds6

About 5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide

5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 934715) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
PubChem CID934715
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCc2ccco2)c(C)cc1C
InChIInChI=1S/C15H19NO4S/c1-4-19-14-9-15(12(3)8-11(14)2)21(17,18)16-10-13-6-5-7-20-13/h5-9,16H,4,10H2,1-3H3
InChIKeyFGEBKQZQZOKTCI-UHFFFAOYSA-N
XLogP2.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
CID 171140383
3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 934514
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 977109
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363027
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
N-(furan-2-ylmethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 110759282
4-ethoxy-N-(1H-indol-3-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 110357493

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide (CID 934715) is 5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide is CCOc1cc(S(=O)(=O)NCc2ccco2)c(C)cc1C.
What is the InChIKey of 5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is FGEBKQZQZOKTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-4-19-14-9-15(12(3)8-11(14)2)21(17,18)16-10-13-6-5-7-20-13/h5-9,16H,4,10H2,1-3H3.
What are the key properties of 5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide?
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 934715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).