N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide

C12H13NO3S2 — CID 566019

IUPACN-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C12H13NO3S2/c1-17-11-4-6-12(7-5-11)18(14,15)13-9-10-3-2-8-16-10/h2-8,13H,9H2,1H3
InChIKeyRIMDJRGJUFUELP-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.48
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide

N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 566019) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID566019
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC NameN-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C12H13NO3S2/c1-17-11-4-6-12(7-5-11)18(14,15)13-9-10-3-2-8-16-10/h2-8,13H,9H2,1H3
InChIKeyRIMDJRGJUFUELP-UHFFFAOYSA-N
XLogP2.48
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide (CID 566019) is N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is RIMDJRGJUFUELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-17-11-4-6-12(7-5-11)18(14,15)13-9-10-3-2-8-16-10/h2-8,13H,9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide?
N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 283.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 566019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).