4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide

C19H13N3O4S — CID 2815816

IUPAC4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H13N3O4S/c20-11-14-3-1-4-15(12-21)19(14)26-16-6-8-18(9-7-16)27(23,24)22-13-17-5-2-10-25-17/h1-10,22H,13H2
InChIKeyRNNDFCBDAWJTFX-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.29
Rot. Bonds6

About 4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide

4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 2815816) has the molecular formula C19H13N3O4S and a molecular weight of 379.40 g/mol. Its IUPAC name is 4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID2815816
Molecular FormulaC19H13N3O4S
Molecular Weight379.40 g/mol
Exact Mass379.06
IUPAC Name4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H13N3O4S/c20-11-14-3-1-4-15(12-21)19(14)26-16-6-8-18(9-7-16)27(23,24)22-13-17-5-2-10-25-17/h1-10,22H,13H2
InChIKeyRNNDFCBDAWJTFX-UHFFFAOYSA-N
XLogP3.29
TPSA116.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 2815816) is 4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide is N#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is RNNDFCBDAWJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4S/c20-11-14-3-1-4-15(12-21)19(14)26-16-6-8-18(9-7-16)27(23,24)22-13-17-5-2-10-25-17/h1-10,22H,13H2.
What are the key properties of 4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide?
4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 379.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dicyanophenoxy)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2815816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).