(Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile

C17H16N2O4S — CID 19131314

IUPAC(Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(N2CCOCC2)o1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4S/c18-13-16(24(20,21)15-4-2-1-3-5-15)12-14-6-7-17(23-14)19-8-10-22-11-9-19/h1-7,12H,8-11H2/b16-12-
InChIKeyDTRYPSNRCSVNBN-VBKFSLOCSA-N
MW344.39 g/mol
LogP2.45
Rot. Bonds4

About (Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile

(Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile (PubChem CID 19131314) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is (Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
PubChem CID19131314
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name(Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(N2CCOCC2)o1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4S/c18-13-16(24(20,21)15-4-2-1-3-5-15)12-14-6-7-17(23-14)19-8-10-22-11-9-19/h1-7,12H,8-11H2/b16-12-
InChIKeyDTRYPSNRCSVNBN-VBKFSLOCSA-N
XLogP2.45
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile (CID 19131314) is (Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is N#C/C(=C/c1ccc(N2CCOCC2)o1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
The InChIKey is DTRYPSNRCSVNBN-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H16N2O4S/c18-13-16(24(20,21)15-4-2-1-3-5-15)12-14-6-7-17(23-14)19-8-10-22-11-9-19/h1-7,12H,8-11H2/b16-12-.
What are the key properties of (Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile?
(Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile has a molecular weight of 344.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(benzenesulfonyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 19131314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).