4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide

C23H22N2O4S — CID 4598116

IUPAC4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=C2CC(c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C23H22N2O4S/c1-2-28-18-12-14-19(15-13-18)30(26,27)25-24-21-16-23(17-8-4-3-5-9-17)29-22-11-7-6-10-20(21)22/h3-15,23,25H,2,16H2,1H3
InChIKeyTVQDTDRDHPFHTJ-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.29
Rot. Bonds6

About 4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide

4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide (PubChem CID 4598116) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
PubChem CID4598116
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=C2CC(c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C23H22N2O4S/c1-2-28-18-12-14-19(15-13-18)30(26,27)25-24-21-16-23(17-8-4-3-5-9-17)29-22-11-7-6-10-20(21)22/h3-15,23,25H,2,16H2,1H3
InChIKeyTVQDTDRDHPFHTJ-UHFFFAOYSA-N
XLogP4.29
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide (CID 4598116) is 4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NN=C2CC(c3ccccc3)Oc3ccccc32)cc1.
What is the InChIKey of 4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The InChIKey is TVQDTDRDHPFHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-2-28-18-12-14-19(15-13-18)30(26,27)25-24-21-16-23(17-8-4-3-5-9-17)29-22-11-7-6-10-20(21)22/h3-15,23,25H,2,16H2,1H3.
What are the key properties of 4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 4598116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).