5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid

C18H23N2O7PS — CID 46866647

IUPAC5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid
SMILESO=C(NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
InChIKeyRSXKZRJAIWEVPD-UHFFFAOYSA-N
MW442.43 g/mol
LogP2.81
Rot. Bonds11

About 5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid

5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid (PubChem CID 46866647) has the molecular formula C18H23N2O7PS and a molecular weight of 442.43 g/mol. Its IUPAC name is 5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid.

Molecular Properties

Compound Name5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid
PubChem CID46866647
Molecular FormulaC18H23N2O7PS
Molecular Weight442.43 g/mol
Exact Mass442.10
IUPAC Name5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid
SMILESO=C(NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
InChIKeyRSXKZRJAIWEVPD-UHFFFAOYSA-N
XLogP2.81
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid?
The IUPAC name of 5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid (CID 46866647) is 5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid.
What is the SMILES notation for 5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid?
The canonical SMILES for 5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid is O=C(NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O.
What is the InChIKey of 5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid?
The InChIKey is RSXKZRJAIWEVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24).
What are the key properties of 5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid?
5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid has a molecular weight of 442.43 g/mol, XLogP of 2.81, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid is sourced from PubChem (CID 46866647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).