N-di(propan-2-yloxy)phosphorylbenzenesulfonamide

C12H20NO5PS — CID 13262870

IUPACN-di(propan-2-yloxy)phosphorylbenzenesulfonamide
SMILESCC(C)OP(=O)(NS(=O)(=O)c1ccccc1)OC(C)C
InChIInChI=1S/C12H20NO5PS/c1-10(2)17-19(14,18-11(3)4)13-20(15,16)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,13,14)
InChIKeyJOXWWEROEQHQCU-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.92
Rot. Bonds7

About N-di(propan-2-yloxy)phosphorylbenzenesulfonamide

N-di(propan-2-yloxy)phosphorylbenzenesulfonamide (PubChem CID 13262870) has the molecular formula C12H20NO5PS and a molecular weight of 321.33 g/mol. Its IUPAC name is N-di(propan-2-yloxy)phosphorylbenzenesulfonamide.

Molecular Properties

Compound NameN-di(propan-2-yloxy)phosphorylbenzenesulfonamide
PubChem CID13262870
Molecular FormulaC12H20NO5PS
Molecular Weight321.33 g/mol
Exact Mass321.08
IUPAC NameN-di(propan-2-yloxy)phosphorylbenzenesulfonamide
SMILESCC(C)OP(=O)(NS(=O)(=O)c1ccccc1)OC(C)C
InChIInChI=1S/C12H20NO5PS/c1-10(2)17-19(14,18-11(3)4)13-20(15,16)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,13,14)
InChIKeyJOXWWEROEQHQCU-UHFFFAOYSA-N
XLogP2.92
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.92
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 N-di(propan-2-yloxy)phosphorylbenzenesulfonamide?
The IUPAC name of N-di(propan-2-yloxy)phosphorylbenzenesulfonamide (CID 13262870) is N-di(propan-2-yloxy)phosphorylbenzenesulfonamide.
What is the SMILES notation for N-di(propan-2-yloxy)phosphorylbenzenesulfonamide?
The canonical SMILES for N-di(propan-2-yloxy)phosphorylbenzenesulfonamide is CC(C)OP(=O)(NS(=O)(=O)c1ccccc1)OC(C)C.
What is the InChIKey of N-di(propan-2-yloxy)phosphorylbenzenesulfonamide?
The InChIKey is JOXWWEROEQHQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO5PS/c1-10(2)17-19(14,18-11(3)4)13-20(15,16)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,13,14).
What are the key properties of N-di(propan-2-yloxy)phosphorylbenzenesulfonamide?
N-di(propan-2-yloxy)phosphorylbenzenesulfonamide has a molecular weight of 321.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-di(propan-2-yloxy)phosphorylbenzenesulfonamide is sourced from PubChem (CID 13262870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).