[diphenyl-(sulfinatoamino)methyl]benzene

C19H16NO2S- — CID 57133595

IUPAC[diphenyl-(sulfinatoamino)methyl]benzene
SMILESO=S([O-])NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2S/c21-23(22)20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H,(H,21,22)/p-1
InChIKeyXMGMPOXXPHHJQZ-UHFFFAOYSA-M
MW322.41 g/mol
LogP3.36
Rot. Bonds5

About [diphenyl-(sulfinatoamino)methyl]benzene

[diphenyl-(sulfinatoamino)methyl]benzene (PubChem CID 57133595) has the molecular formula C19H16NO2S- and a molecular weight of 322.41 g/mol. Its IUPAC name is [diphenyl-(sulfinatoamino)methyl]benzene.

Molecular Properties

Compound Name[diphenyl-(sulfinatoamino)methyl]benzene
PubChem CID57133595
Molecular FormulaC19H16NO2S-
Molecular Weight322.41 g/mol
Exact Mass322.09
IUPAC Name[diphenyl-(sulfinatoamino)methyl]benzene
SMILESO=S([O-])NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO2S/c21-23(22)20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H,(H,21,22)/p-1
InChIKeyXMGMPOXXPHHJQZ-UHFFFAOYSA-M
XLogP3.36
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-tritylethenesulfinamide
CID 143933710
[3-oxo-3-phenoxy-1-phenyl-1-(sulfinatoamino)propyl]benzene
CID 174576027
2-hydroxy-1-oxo-2,2-diphenylethanesulfinic acid
CID 174816975
N-methoxy-1,1,1-triphenylmethanamine
CID 3384746
hydrogen sulfite;phenol
CID 53433159
ethanamine;(sulfinatoamino)benzene
CID 68776959
hydrogen sulfite;phenylsilane
CID 175038327
1-tert-butyl-2-(sulfinatoamino)benzene
CID 19910934
(1-amino-1-phenylethyl) sulfite
CID 174558578
1-phenyl-3-(sulfinatoamino)benzene
CID 57143520
1-carboxy-2-(sulfinatoamino)benzene
CID 22718755
1-phenyldiazenyl-4-(sulfinatoamino)benzene
CID 22283664

Frequently Asked Questions

What is the IUPAC name of [diphenyl-(sulfinatoamino)methyl]benzene?
The IUPAC name of [diphenyl-(sulfinatoamino)methyl]benzene (CID 57133595) is [diphenyl-(sulfinatoamino)methyl]benzene.
What is the SMILES notation for [diphenyl-(sulfinatoamino)methyl]benzene?
The canonical SMILES for [diphenyl-(sulfinatoamino)methyl]benzene is O=S([O-])NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl-(sulfinatoamino)methyl]benzene?
The InChIKey is XMGMPOXXPHHJQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17NO2S/c21-23(22)20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H,(H,21,22)/p-1.
What are the key properties of [diphenyl-(sulfinatoamino)methyl]benzene?
[diphenyl-(sulfinatoamino)methyl]benzene has a molecular weight of 322.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-(sulfinatoamino)methyl]benzene is sourced from PubChem (CID 57133595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).