[[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid

C14H17NO9P2S — CID 86298625

IUPAC[[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O)cc2)cc1
InChIInChI=1S/C14H17NO9P2S/c1-24-12-6-2-10(3-7-12)11-4-8-13(9-5-11)27(22,23)15-14(25(16,17)18)26(19,20)21/h2-9,14-15H,1H3,(H2,16,17,18)(H2,19,20,21)
InChIKeyQVQWZOSZWYYZDA-UHFFFAOYSA-N
MW437.30 g/mol
LogP1.28
Rot. Bonds7

About [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid

[[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid (PubChem CID 86298625) has the molecular formula C14H17NO9P2S and a molecular weight of 437.30 g/mol. Its IUPAC name is [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid
PubChem CID86298625
Molecular FormulaC14H17NO9P2S
Molecular Weight437.30 g/mol
Exact Mass437.01
IUPAC Name[[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O)cc2)cc1
InChIInChI=1S/C14H17NO9P2S/c1-24-12-6-2-10(3-7-12)11-4-8-13(9-5-11)27(22,23)15-14(25(16,17)18)26(19,20)21/h2-9,14-15H,1H3,(H2,16,17,18)(H2,19,20,21)
InChIKeyQVQWZOSZWYYZDA-UHFFFAOYSA-N
XLogP1.28
TPSA170.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 51.28
H-Bond Donors ≤ 55
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 [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid?
The IUPAC name of [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid (CID 86298625) is [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid?
The canonical SMILES for [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid is COc1ccc(-c2ccc(S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O)cc2)cc1.
What is the InChIKey of [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid?
The InChIKey is QVQWZOSZWYYZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO9P2S/c1-24-12-6-2-10(3-7-12)11-4-8-13(9-5-11)27(22,23)15-14(25(16,17)18)26(19,20)21/h2-9,14-15H,1H3,(H2,16,17,18)(H2,19,20,21).
What are the key properties of [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid?
[[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid has a molecular weight of 437.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 86298625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).