N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide

C13H15NO3S — CID 873011

IUPACN-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C
InChIInChI=1S/C13H15NO3S/c1-10-5-6-13(8-11(10)2)18(15,16)14-9-12-4-3-7-17-12/h3-8,14H,9H2,1-2H3
InChIKeyJZTTWQJYFHPGNQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.37
Rot. Bonds4

About N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide

N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 873011) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide
PubChem CID873011
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC NameN-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C
InChIInChI=1S/C13H15NO3S/c1-10-5-6-13(8-11(10)2)18(15,16)14-9-12-4-3-7-17-12/h3-8,14H,9H2,1-2H3
InChIKeyJZTTWQJYFHPGNQ-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 N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide (CID 873011) is N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is JZTTWQJYFHPGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-10-5-6-13(8-11(10)2)18(15,16)14-9-12-4-3-7-17-12/h3-8,14H,9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide?
N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide 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 N-(furan-2-ylmethyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 873011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).