N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide

C23H17N3O4S — CID 166372900

IUPACN-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2cnccn2)cc1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H17N3O4S/c27-31(28,19-9-10-21-20-3-1-2-4-22(20)30-23(21)13-19)26-16-5-7-18(8-6-16)29-15-17-14-24-11-12-25-17/h1-14,26H,15H2
InChIKeyHQMOFOLMNCILOI-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.76
Rot. Bonds6

About N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide

N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide (PubChem CID 166372900) has the molecular formula C23H17N3O4S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide
PubChem CID166372900
Molecular FormulaC23H17N3O4S
Molecular Weight431.47 g/mol
Exact Mass431.09
IUPAC NameN-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(OCc2cnccn2)cc1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C23H17N3O4S/c27-31(28,19-9-10-21-20-3-1-2-4-22(20)30-23(21)13-19)26-16-5-7-18(8-6-16)29-15-17-14-24-11-12-25-17/h1-14,26H,15H2
InChIKeyHQMOFOLMNCILOI-UHFFFAOYSA-N
XLogP4.76
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide?
The IUPAC name of N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide (CID 166372900) is N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide.
What is the SMILES notation for N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide?
The canonical SMILES for N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide is O=S(=O)(Nc1ccc(OCc2cnccn2)cc1)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide?
The InChIKey is HQMOFOLMNCILOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4S/c27-31(28,19-9-10-21-20-3-1-2-4-22(20)30-23(21)13-19)26-16-5-7-18(8-6-16)29-15-17-14-24-11-12-25-17/h1-14,26H,15H2.
What are the key properties of N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide?
N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide has a molecular weight of 431.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrazin-2-ylmethoxy)phenyl]dibenzofuran-3-sulfonamide is sourced from PubChem (CID 166372900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).