2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid

C15H17N2O7PS — CID 46866644

IUPAC2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid
SMILESO=C(NCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C15H17N2O7PS/c18-15(25(19,20)21)16-10-11-17-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,16,18)(H2,19,20,21)
InChIKeyAINNCHVLRRGREE-UHFFFAOYSA-N
MW400.35 g/mol
LogP1.64
Rot. Bonds8

About 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid

2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid (PubChem CID 46866644) has the molecular formula C15H17N2O7PS and a molecular weight of 400.35 g/mol. Its IUPAC name is 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid.

Molecular Properties

Compound Name2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid
PubChem CID46866644
Molecular FormulaC15H17N2O7PS
Molecular Weight400.35 g/mol
Exact Mass400.05
IUPAC Name2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid
SMILESO=C(NCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C15H17N2O7PS/c18-15(25(19,20)21)16-10-11-17-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,16,18)(H2,19,20,21)
InChIKeyAINNCHVLRRGREE-UHFFFAOYSA-N
XLogP1.64
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 51.64
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'}

Analyze 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-Hydroxy-2-(4-phenoxy-benzenesulfonylamino)-acetamide
CID 44404553
6-[(4-Phenoxyphenyl)sulfonylamino]hexylcarbamoylphosphonic acid
CID 46847340
3-[(4-Phenoxyphenyl)sulfonylamino]propylcarbamoylphosphonic acid
CID 46866645
1-[4-Phenoxybenzenesulfonamido]-4-[phosphonoformamido]butane
CID 46866646
5-[(4-Phenoxyphenyl)sulfonylamino]pentylcarbamoylphosphonic acid
CID 46866647
4-(4-Ethoxyphenyl)sulfonylpiperazin-2-one
CID 2525137
[(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid
CID 46865260
2-[[3,5-Difluoro-4-(4-fluorophenoxy)phenyl]sulfonyl-[2-(methylamino)ethyl]amino]acetamide
CID 66656757
N-[2-[(4-ethoxy-3-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 110758076
1-(4-Methoxyphenyl)sulfonyl-3-[2-[(4-methoxyphenyl)sulfonylcarbamoylamino]ethyl]urea
CID 19966645
2-[dimethylphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 20683037
2-[diethoxyphosphorylmethyl-(4-phenoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 21705778

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid?
The IUPAC name of 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid (CID 46866644) is 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid.
What is the SMILES notation for 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid?
The canonical SMILES for 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid is O=C(NCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O.
What is the InChIKey of 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid?
The InChIKey is AINNCHVLRRGREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2O7PS/c18-15(25(19,20)21)16-10-11-17-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,16,18)(H2,19,20,21).
What are the key properties of 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid?
2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid has a molecular weight of 400.35 g/mol, XLogP of 1.64, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid is sourced from PubChem (CID 46866644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).