N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide

C23H20NO5PS2 — CID 2307159

IUPACN-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)[C@H](NS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C23H20NO5PS2/c25-30(28-19-11-4-1-5-12-19,29-20-13-6-2-7-14-20)23(22-17-10-18-31-22)24-32(26,27)21-15-8-3-9-16-21/h1-18,23-24H/t23-/m0/s1
InChIKeyBMWGTUSTWONYMV-QHCPKHFHSA-N
MW485.52 g/mol
LogP6.08
Rot. Bonds9

About N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide

N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 2307159) has the molecular formula C23H20NO5PS2 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide
PubChem CID2307159
Molecular FormulaC23H20NO5PS2
Molecular Weight485.52 g/mol
Exact Mass485.05
IUPAC NameN-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)[C@H](NS(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C23H20NO5PS2/c25-30(28-19-11-4-1-5-12-19,29-20-13-6-2-7-14-20)23(22-17-10-18-31-22)24-32(26,27)21-15-8-3-9-16-21/h1-18,23-24H/t23-/m0/s1
InChIKeyBMWGTUSTWONYMV-QHCPKHFHSA-N
XLogP6.08
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.52
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide (CID 2307159) is N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide is O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](NS(=O)(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is BMWGTUSTWONYMV-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20NO5PS2/c25-30(28-19-11-4-1-5-12-19,29-20-13-6-2-7-14-20)23(22-17-10-18-31-22)24-32(26,27)21-15-8-3-9-16-21/h1-18,23-24H/t23-/m0/s1.
What are the key properties of N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide?
N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 485.52 g/mol, XLogP of 6.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-diphenoxyphosphoryl(thiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2307159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).