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

C17H22N3O7PS — CID 46865154

IUPAC2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid
SMILESO=C(NCCNCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C17H22N3O7PS/c21-17(28(22,23)24)19-12-10-18-11-13-20-29(25,26)16-8-6-15(7-9-16)27-14-4-2-1-3-5-14/h1-9,18,20H,10-13H2,(H,19,21)(H2,22,23,24)
InChIKeyIVMUEELRNYGGRV-UHFFFAOYSA-N
MW443.42 g/mol
LogP1.23
Rot. Bonds11

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

2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid (PubChem CID 46865154) has the molecular formula C17H22N3O7PS and a molecular weight of 443.42 g/mol. Its IUPAC name is 2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid.

Molecular Properties

Compound Name2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid
PubChem CID46865154
Molecular FormulaC17H22N3O7PS
Molecular Weight443.42 g/mol
Exact Mass443.09
IUPAC Name2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid
SMILESO=C(NCCNCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C17H22N3O7PS/c21-17(28(22,23)24)19-12-10-18-11-13-20-29(25,26)16-8-6-15(7-9-16)27-14-4-2-1-3-5-14/h1-9,18,20H,10-13H2,(H,19,21)(H2,22,23,24)
InChIKeyIVMUEELRNYGGRV-UHFFFAOYSA-N
XLogP1.23
TPSA154.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 51.23
H-Bond Donors ≤ 55
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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Related Compounds

[(2R)-2-amino-3-[(4-phenoxyphenyl)sulfonylamino]propyl]carbamoylphosphonic acid
CID 46865260
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[2-(2-methoxyethylamino)ethyl]-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 120717957
tert-butyl N-[5-[(4-phenoxyphenyl)sulfonylamino]pentyl]carbamate
CID 66727891
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264
2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
CID 169487948
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214
ethoxy-[ethyl-[6-[(4-phenoxyphenyl)sulfonylamino]hexyl]carbamoyl]phosphinic acid
CID 87127080
3-[(4-phenoxyphenyl)sulfonylamino]pentan-3-ylphosphonic acid
CID 70104609
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-(4-aminobutyl)-4-phenoxybenzenesulfonamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-[(4-phenoxyphenyl)sulfonylamino]butyl]carbamate;N-[6-di(propan-2-yloxy)phosphoryl-6-oxohexyl]-4-phenoxybenzenesulfonamide;4-phenoxybenzenesulfonyl chloride;2-[(4-phenoxyphenyl)sulfonylamino]ethylcarbamoylphosphonic acid;4-(4-phenoxyphenyl)sulfonylbutylcarbamoylphosphonic acid;2,2,2-trifluoroacetic acid
CID 159316604

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid?
The IUPAC name of 2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid (CID 46865154) is 2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid.
What is the SMILES notation for 2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid?
The canonical SMILES for 2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid is O=C(NCCNCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O.
What is the InChIKey of 2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid?
The InChIKey is IVMUEELRNYGGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N3O7PS/c21-17(28(22,23)24)19-12-10-18-11-13-20-29(25,26)16-8-6-15(7-9-16)27-14-4-2-1-3-5-14/h1-9,18,20H,10-13H2,(H,19,21)(H2,22,23,24).
What are the key properties of 2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid?
2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid has a molecular weight of 443.42 g/mol, XLogP of 1.23, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-phenoxyphenyl)sulfonylamino]ethylamino]ethylcarbamoylphosphonic acid is sourced from PubChem (CID 46865154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).