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

C21H18N2O3S — CID 6516633

IUPACN-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
SMILESO=S(=O)(N/N=C1/CC(c2ccccc2)Oc2ccccc21)c1ccccc1
InChIInChI=1S/C21H18N2O3S/c24-27(25,17-11-5-2-6-12-17)23-22-19-15-21(16-9-3-1-4-10-16)26-20-14-8-7-13-18(19)20/h1-14,21,23H,15H2/b22-19-
InChIKeyVBUXUIBABREPPX-QOCHGBHMSA-N
MW378.45 g/mol
LogP3.89
Rot. Bonds4

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

N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide (PubChem CID 6516633) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
PubChem CID6516633
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
SMILESO=S(=O)(N/N=C1/CC(c2ccccc2)Oc2ccccc21)c1ccccc1
InChIInChI=1S/C21H18N2O3S/c24-27(25,17-11-5-2-6-12-17)23-22-19-15-21(16-9-3-1-4-10-16)26-20-14-8-7-13-18(19)20/h1-14,21,23H,15H2/b22-19-
InChIKeyVBUXUIBABREPPX-QOCHGBHMSA-N
XLogP3.89
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The IUPAC name of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide (CID 6516633) is N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide is O=S(=O)(N/N=C1/CC(c2ccccc2)Oc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The InChIKey is VBUXUIBABREPPX-QOCHGBHMSA-N. The full InChI is InChI=1S/C21H18N2O3S/c24-27(25,17-11-5-2-6-12-17)23-22-19-15-21(16-9-3-1-4-10-16)26-20-14-8-7-13-18(19)20/h1-14,21,23H,15H2/b22-19-.
What are the key properties of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 6516633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).