4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide

C18H18N2O5S — CID 56678723

IUPAC4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide
SMILESCCOC1Oc2ccccc2C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+
InChIKeyAVQUFASKLOBGCJ-RVDMUPIBSA-N
MW374.42 g/mol
LogP2.27
Rot. Bonds5

About 4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide

4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide (PubChem CID 56678723) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide
PubChem CID56678723
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide
SMILESCCOC1Oc2ccccc2C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+
InChIKeyAVQUFASKLOBGCJ-RVDMUPIBSA-N
XLogP2.27
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide (CID 56678723) is 4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide is CCOC1Oc2ccccc2C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide?
The InChIKey is AVQUFASKLOBGCJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+.
What are the key properties of 4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide?
4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-(2-ethoxy-4-oxochromen-3-ylidene)methyl]amino]benzenesulfonamide is sourced from PubChem (CID 56678723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).