5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide

C14H15NO5S — CID 39445497

IUPAC5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)=O)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C14H15NO5S/c1-10(16)11-5-6-13(19-2)14(8-11)21(17,18)15-9-12-4-3-7-20-12/h3-8,15H,9H2,1-2H3
InChIKeySBXFFTGXBYUMKV-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.97
Rot. Bonds6

About 5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide

5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide (PubChem CID 39445497) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
PubChem CID39445497
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)=O)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C14H15NO5S/c1-10(16)11-5-6-13(19-2)14(8-11)21(17,18)15-9-12-4-3-7-20-12/h3-8,15H,9H2,1-2H3
InChIKeySBXFFTGXBYUMKV-UHFFFAOYSA-N
XLogP1.97
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
4-ethoxy-3-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
CID 171140383
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-[3-(furan-2-ylmethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
CID 1191209
N-[5-(furan-2-ylmethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 2991258
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 39368097
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
N-(furan-2-ylmethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 110759282
3-(furan-2-ylmethylsulfamoyl)-4-(2-methoxyethylamino)benzoic acid
CID 99979694
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide (CID 39445497) is 5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide is COc1ccc(C(C)=O)cc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
The InChIKey is SBXFFTGXBYUMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-10(16)11-5-6-13(19-2)14(8-11)21(17,18)15-9-12-4-3-7-20-12/h3-8,15H,9H2,1-2H3.
What are the key properties of 5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide?
5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide has a molecular weight of 309.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 39445497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).