4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C13H15NO3S — CID 2755120

IUPAC4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C)o2)cc1
InChIInChI=1S/C13H15NO3S/c1-10-3-7-13(8-4-10)18(15,16)14-9-12-6-5-11(2)17-12/h3-8,14H,9H2,1-2H3
InChIKeyWLHFEQKQAFRWFH-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.37
Rot. Bonds4

About 4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 2755120) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID2755120
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C)o2)cc1
InChIInChI=1S/C13H15NO3S/c1-10-3-7-13(8-4-10)18(15,16)14-9-12-6-5-11(2)17-12/h3-8,14H,9H2,1-2H3
InChIKeyWLHFEQKQAFRWFH-UHFFFAOYSA-N
XLogP2.37
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 2755120) is 4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(C)o2)cc1.
What is the InChIKey of 4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is WLHFEQKQAFRWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-10-3-7-13(8-4-10)18(15,16)14-9-12-6-5-11(2)17-12/h3-8,14H,9H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 265.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2755120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).