1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene

C15H15NO3S — CID 54141547

IUPAC1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene
SMILESCOc1ccc(C=Cc2ccc(NS(=O)O)cc2)cc1
InChIInChI=1S/C15H15NO3S/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16-20(17)18/h2-11,16H,1H3,(H,17,18)
InChIKeyOHSRBRHQMFGTON-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.41
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene

1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene (PubChem CID 54141547) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene
PubChem CID54141547
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene
SMILESCOc1ccc(C=Cc2ccc(NS(=O)O)cc2)cc1
InChIInChI=1S/C15H15NO3S/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16-20(17)18/h2-11,16H,1H3,(H,17,18)
InChIKeyOHSRBRHQMFGTON-UHFFFAOYSA-N
XLogP3.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]cyclohepta-2,4,6-trien-1-one
CID 12681155
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
methyl (E)-5-(4-methoxyphenyl)pent-4-en-2-ynoate
CID 132552263
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene (CID 54141547) is 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene is COc1ccc(C=Cc2ccc(NS(=O)O)cc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene?
The InChIKey is OHSRBRHQMFGTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16-20(17)18/h2-11,16H,1H3,(H,17,18).
What are the key properties of 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene?
1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene has a molecular weight of 289.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethenyl]-4-(sulfinoamino)benzene is sourced from PubChem (CID 54141547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).