4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide

C15H18NO6PS — CID 155511075

IUPAC4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide
SMILESCOCCOP(=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C15H18NO6PS/c1-20-11-12-21-23(17,14-5-3-2-4-6-14)22-13-7-9-15(10-8-13)24(16,18)19/h2-10H,11-12H2,1H3,(H2,16,18,19)
InChIKeyINIVRUBCRFFWDF-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.89
Rot. Bonds8

About 4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide

4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide (PubChem CID 155511075) has the molecular formula C15H18NO6PS and a molecular weight of 371.35 g/mol. Its IUPAC name is 4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide.

Molecular Properties

Compound Name4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide
PubChem CID155511075
Molecular FormulaC15H18NO6PS
Molecular Weight371.35 g/mol
Exact Mass371.06
IUPAC Name4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide
SMILESCOCCOP(=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C15H18NO6PS/c1-20-11-12-21-23(17,14-5-3-2-4-6-14)22-13-7-9-15(10-8-13)24(16,18)19/h2-10H,11-12H2,1H3,(H2,16,18,19)
InChIKeyINIVRUBCRFFWDF-UHFFFAOYSA-N
XLogP1.89
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide?
The IUPAC name of 4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide (CID 155511075) is 4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide.
What is the SMILES notation for 4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide?
The canonical SMILES for 4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide is COCCOP(=O)(Oc1ccc(S(N)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide?
The InChIKey is INIVRUBCRFFWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO6PS/c1-20-11-12-21-23(17,14-5-3-2-4-6-14)22-13-7-9-15(10-8-13)24(16,18)19/h2-10H,11-12H2,1H3,(H2,16,18,19).
What are the key properties of 4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide?
4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide has a molecular weight of 371.35 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide is sourced from PubChem (CID 155511075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).