4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide

C18H16NO5PS — CID 155518220

IUPAC4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OP(=O)(Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16NO5PS/c19-26(21,22)18-13-11-16(12-14-18)24-25(20,17-9-5-2-6-10-17)23-15-7-3-1-4-8-15/h1-14H,(H2,19,21,22)
InChIKeyNHZKQUURXQFXIN-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.31
Rot. Bonds6

About 4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide

4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide (PubChem CID 155518220) has the molecular formula C18H16NO5PS and a molecular weight of 389.37 g/mol. Its IUPAC name is 4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide.

Molecular Properties

Compound Name4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide
PubChem CID155518220
Molecular FormulaC18H16NO5PS
Molecular Weight389.37 g/mol
Exact Mass389.05
IUPAC Name4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OP(=O)(Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H16NO5PS/c19-26(21,22)18-13-11-16(12-14-18)24-25(20,17-9-5-2-6-10-17)23-15-7-3-1-4-8-15/h1-14H,(H2,19,21,22)
InChIKeyNHZKQUURXQFXIN-UHFFFAOYSA-N
XLogP3.31
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide?
The IUPAC name of 4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide (CID 155518220) is 4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide.
What is the SMILES notation for 4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide?
The canonical SMILES for 4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide is NS(=O)(=O)c1ccc(OP(=O)(Oc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide?
The InChIKey is NHZKQUURXQFXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO5PS/c19-26(21,22)18-13-11-16(12-14-18)24-25(20,17-9-5-2-6-10-17)23-15-7-3-1-4-8-15/h1-14H,(H2,19,21,22).
What are the key properties of 4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide?
4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide has a molecular weight of 389.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide is sourced from PubChem (CID 155518220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).