N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide

C15H19NO5S — CID 90536208

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc(C)oc2C)c(OC)c1
InChIInChI=1S/C15H19NO5S/c1-10-7-12(11(2)21-10)9-16-22(17,18)15-6-5-13(19-3)8-14(15)20-4/h5-8,16H,9H2,1-4H3
InChIKeyWRHQSQFSDAHUCK-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.39
Rot. Bonds6

About N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide

N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 90536208) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID90536208
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc(C)oc2C)c(OC)c1
InChIInChI=1S/C15H19NO5S/c1-10-7-12(11(2)21-10)9-16-22(17,18)15-6-5-13(19-3)8-14(15)20-4/h5-8,16H,9H2,1-4H3
InChIKeyWRHQSQFSDAHUCK-UHFFFAOYSA-N
XLogP2.39
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90536200
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2,4-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021419
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 56765592
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide (CID 90536208) is N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cc(C)oc2C)c(OC)c1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is WRHQSQFSDAHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-10-7-12(11(2)21-10)9-16-22(17,18)15-6-5-13(19-3)8-14(15)20-4/h5-8,16H,9H2,1-4H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 90536208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).