[4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite

C15H17O5PS — CID 172699258

IUPAC[4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite
SMILESCOP(OC)OCc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17O5PS/c1-18-21(19-2)20-12-13-8-10-15(11-9-13)22(16,17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyCSWSGIZAJYXZSJ-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.56
Rot. Bonds7

About [4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite

[4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite (PubChem CID 172699258) has the molecular formula C15H17O5PS and a molecular weight of 340.34 g/mol. Its IUPAC name is [4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite.

Molecular Properties

Compound Name[4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite
PubChem CID172699258
Molecular FormulaC15H17O5PS
Molecular Weight340.34 g/mol
Exact Mass340.05
IUPAC Name[4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite
SMILESCOP(OC)OCc1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17O5PS/c1-18-21(19-2)20-12-13-8-10-15(11-9-13)22(16,17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyCSWSGIZAJYXZSJ-UHFFFAOYSA-N
XLogP3.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
CID 925876
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
benzyl methyl phenyl phosphite
CID 19107157
[4-(benzenesulfonyl)phenyl]methyl 2-methylprop-2-enoate
CID 101049518
1-(benzenesulfonyl)-4-[(4-tert-butylphenoxy)methyl]benzene
CID 2948852
tribenzyl phosphite
CID 11810300
benzene;benzenesulfonylbenzene;ethane;methoxymethane;methylsulfonylmethane
CID 157418553
1-(benzenesulfonyl)-4-(2,3-dimethylbutyl)benzene
CID 154955361
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
benzenesulfonylbenzene;ethane;methanol
CID 123145310
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite?
The IUPAC name of [4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite (CID 172699258) is [4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite.
What is the SMILES notation for [4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite?
The canonical SMILES for [4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite is COP(OC)OCc1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite?
The InChIKey is CSWSGIZAJYXZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17O5PS/c1-18-21(19-2)20-12-13-8-10-15(11-9-13)22(16,17)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of [4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite?
[4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite has a molecular weight of 340.34 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite is sourced from PubChem (CID 172699258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).