N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide

C15H19NO4S — CID 1085538

IUPACN-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCc2ccco2)c(C)c1C
InChIInChI=1S/C15H19NO4S/c1-10-8-14(11(2)12(3)15(10)19-4)21(17,18)16-9-13-6-5-7-20-13/h5-8,16H,9H2,1-4H3
InChIKeyOERYUKJTTDPGHU-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.69
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide

N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide (PubChem CID 1085538) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide
PubChem CID1085538
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NCc2ccco2)c(C)c1C
InChIInChI=1S/C15H19NO4S/c1-10-8-14(11(2)12(3)15(10)19-4)21(17,18)16-9-13-6-5-7-20-13/h5-8,16H,9H2,1-4H3
InChIKeyOERYUKJTTDPGHU-UHFFFAOYSA-N
XLogP2.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide (CID 1085538) is N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide is COc1c(C)cc(S(=O)(=O)NCc2ccco2)c(C)c1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide?
The InChIKey is OERYUKJTTDPGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-10-8-14(11(2)12(3)15(10)19-4)21(17,18)16-9-13-6-5-7-20-13/h5-8,16H,9H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide?
N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methoxy-2,3,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 1085538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).