N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide

C15H19NO4S — CID 110731612

IUPACN-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC(C)c2ccco2)c(C)c1
InChIInChI=1S/C15H19NO4S/c1-10-8-13(19-4)9-11(2)15(10)21(17,18)16-12(3)14-6-5-7-20-14/h5-9,12,16H,1-4H3
InChIKeyQPACUALAMKOJLQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.94
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide

N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 110731612) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID110731612
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC NameN-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC(C)c2ccco2)c(C)c1
InChIInChI=1S/C15H19NO4S/c1-10-8-13(19-4)9-11(2)15(10)21(17,18)16-12(3)14-6-5-7-20-14/h5-9,12,16H,1-4H3
InChIKeyQPACUALAMKOJLQ-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(furan-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 43535590
methyl 3-[1-(furan-2-yl)ethylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748041
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
4-methoxy-2,6-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 94143773
3-amino-N-[1-(furan-2-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 43535569
5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
5-amino-N-[1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 43535594
5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 8817696
2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 43169502
4-methoxy-2,6-dimethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133166471
3-amino-4-fluoro-N-[1-(furan-2-yl)ethyl]-5-methylbenzenesulfonamide
CID 115421239

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 110731612) is N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NC(C)c2ccco2)c(C)c1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is QPACUALAMKOJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-10-8-13(19-4)9-11(2)15(10)21(17,18)16-12(3)14-6-5-7-20-14/h5-9,12,16H,1-4H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 110731612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).