N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid

C12H12N3O7PS — CID 67121222

IUPACN-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid
SMILESO=[N+]([O-])c1ccc(OP(=O)(O)NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C12H12N3O7PS/c16-15(17)10-6-8-11(9-7-10)22-23(18,19)13-14-24(20,21)12-4-2-1-3-5-12/h1-9,14H,(H2,13,18,19)
InChIKeyFIQVRXFUUQMJQH-UHFFFAOYSA-N
MW373.28 g/mol
LogP1.56
Rot. Bonds7

About N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid

N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid (PubChem CID 67121222) has the molecular formula C12H12N3O7PS and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid.

Molecular Properties

Compound NameN-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid
PubChem CID67121222
Molecular FormulaC12H12N3O7PS
Molecular Weight373.28 g/mol
Exact Mass373.01
IUPAC NameN-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid
SMILESO=[N+]([O-])c1ccc(OP(=O)(O)NNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C12H12N3O7PS/c16-15(17)10-6-8-11(9-7-10)22-23(18,19)13-14-24(20,21)12-4-2-1-3-5-12/h1-9,14H,(H2,13,18,19)
InChIKeyFIQVRXFUUQMJQH-UHFFFAOYSA-N
XLogP1.56
TPSA147.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

azane;(4-nitrophenyl) phenyl hydrogen phosphate
CID 154734089
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
(benzylsulfonylamino)methyl-(4-nitrophenoxy)phosphinic acid
CID 12968672
azane;(4-nitrophenyl) dihydrogen phosphate
CID 118856328
[(4-nitrophenyl)sulfonylamino]carbamic acid
CID 170161166
azanium (4-nitrophenyl) phenyl phosphate
CID 132649079
N-[2-methyl-1-(4-nitrophenoxy)propan-2-yl]benzenesulfonamide
CID 21178376
(4-nitrophenyl) hydrogen phosphate;silver
CID 173436602
chloro-(4-nitrophenoxy)phosphinic acid
CID 54199741
N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954
(4-nitrophenyl) phenyl propan-2-yl phosphate
CID 11393558
amino (4-nitrophenyl) hydrogen phosphate
CID 69185179

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid?
The IUPAC name of N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid (CID 67121222) is N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid.
What is the SMILES notation for N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid?
The canonical SMILES for N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid is O=[N+]([O-])c1ccc(OP(=O)(O)NNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid?
The InChIKey is FIQVRXFUUQMJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N3O7PS/c16-15(17)10-6-8-11(9-7-10)22-23(18,19)13-14-24(20,21)12-4-2-1-3-5-12/h1-9,14H,(H2,13,18,19).
What are the key properties of N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid?
N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid has a molecular weight of 373.28 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid is sourced from PubChem (CID 67121222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).