[2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane

C31H26NO2PS2 — CID 15209044

IUPAC[2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane
SMILESO=S(=O)(CSc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H26NO2PS2/c33-37(34,29-21-11-4-12-22-29)25-36-31-24-14-13-23-30(31)32-35(26-15-5-1-6-16-26,27-17-7-2-8-18-27)28-19-9-3-10-20-28/h1-24H,25H2
InChIKeyXEROQNGGXORBTN-UHFFFAOYSA-N
MW539.66 g/mol
LogP7.02
Rot. Bonds8

About [2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane

[2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane (PubChem CID 15209044) has the molecular formula C31H26NO2PS2 and a molecular weight of 539.66 g/mol. Its IUPAC name is [2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane
PubChem CID15209044
Molecular FormulaC31H26NO2PS2
Molecular Weight539.66 g/mol
Exact Mass539.11
IUPAC Name[2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane
SMILESO=S(=O)(CSc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H26NO2PS2/c33-37(34,29-21-11-4-12-22-29)25-36-31-24-14-13-23-30(31)32-35(26-15-5-1-6-16-26,27-17-7-2-8-18-27)28-19-9-3-10-20-28/h1-24H,25H2
InChIKeyXEROQNGGXORBTN-UHFFFAOYSA-N
XLogP7.02
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.66
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile
CID 4918351
N-pent-4-enyl-2-[(triphenyl-λ5-phosphanylidene)amino]benzenesulfonamide
CID 138969223
triphenyl-[2-[5-[2-[(triphenyl-λ5-phosphanylidene)amino]phenyl]-1H-pyrrol-2-yl]phenyl]imino-λ5-phosphane
CID 10876446
isocyanatomethylsulfonylbenzene
CID 82280040
2-(benzenesulfonyl)ethylsulfanylbenzene
CID 737205
[2-(benzenesulfonyl)-1-fluoroethyl]benzene
CID 72723300
benzenesulfonylmethyl(triphenyl)stannane
CID 21409449
[diphenyl(sulfamoylimino)-lambda5-phosphanyl]benzene
CID 15191029
[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane
CID 134935311
3-[(triphenyl-λ5-phosphanylidene)amino]thiophene-2-carbaldehyde
CID 18404100
S-[2-(2-iodophenyl)ethyl] 2-[(triphenyl-λ5-phosphanylidene)amino]benzenecarbothioate
CID 101374812
1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene
CID 78061620

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane?
The IUPAC name of [2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane (CID 15209044) is [2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane.
What is the SMILES notation for [2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane?
The canonical SMILES for [2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane is O=S(=O)(CSc1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane?
The InChIKey is XEROQNGGXORBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26NO2PS2/c33-37(34,29-21-11-4-12-22-29)25-36-31-24-14-13-23-30(31)32-35(26-15-5-1-6-16-26,27-17-7-2-8-18-27)28-19-9-3-10-20-28/h1-24H,25H2.
What are the key properties of [2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane?
[2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane has a molecular weight of 539.66 g/mol, XLogP of 7.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonylmethylsulfanyl)phenyl]imino-triphenyl-λ5-phosphane is sourced from PubChem (CID 15209044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).