4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide

C15H19NO3S — CID 977070

IUPAC4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H19NO3S/c1-15(2,3)12-6-8-14(9-7-12)20(17,18)16-11-13-5-4-10-19-13/h4-10,16H,11H2,1-3H3
InChIKeyGPPVGDWGLPRUST-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.06
Rot. Bonds4

About 4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide

4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 977070) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID977070
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H19NO3S/c1-15(2,3)12-6-8-14(9-7-12)20(17,18)16-11-13-5-4-10-19-13/h4-10,16H,11H2,1-3H3
InChIKeyGPPVGDWGLPRUST-UHFFFAOYSA-N
XLogP3.06
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide (CID 977070) is 4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is GPPVGDWGLPRUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-15(2,3)12-6-8-14(9-7-12)20(17,18)16-11-13-5-4-10-19-13/h4-10,16H,11H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide?
4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 977070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).