(NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide

C18H17NO4S — CID 138974778

IUPAC(NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide
SMILESC=CC1O/C(=N\S(=O)(=O)c2ccc(C)cc2)OC1c1ccccc1
InChIInChI=1S/C18H17NO4S/c1-3-16-17(14-7-5-4-6-8-14)23-18(22-16)19-24(20,21)15-11-9-13(2)10-12-15/h3-12,16-17H,1H2,2H3/b19-18+
InChIKeyXEEYYSWJZAZLKY-VHEBQXMUSA-N
MW343.40 g/mol
LogP3.38
Rot. Bonds4

About (NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide

(NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 138974778) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is (NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID138974778
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name(NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide
SMILESC=CC1O/C(=N\S(=O)(=O)c2ccc(C)cc2)OC1c1ccccc1
InChIInChI=1S/C18H17NO4S/c1-3-16-17(14-7-5-4-6-8-14)23-18(22-16)19-24(20,21)15-11-9-13(2)10-12-15/h3-12,16-17H,1H2,2H3/b19-18+
InChIKeyXEEYYSWJZAZLKY-VHEBQXMUSA-N
XLogP3.38
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide (CID 138974778) is (NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide is C=CC1O/C(=N\S(=O)(=O)c2ccc(C)cc2)OC1c1ccccc1.
What is the InChIKey of (NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is XEEYYSWJZAZLKY-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-3-16-17(14-7-5-4-6-8-14)23-18(22-16)19-24(20,21)15-11-9-13(2)10-12-15/h3-12,16-17H,1H2,2H3/b19-18+.
What are the key properties of (NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide?
(NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 343.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(4-ethenyl-5-phenyl-1,3-dioxolan-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 138974778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).