[(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid

C7H8ClN2O7PS — CID 22179300

IUPAC[(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCP(=O)(O)O)ccc1Cl
InChIInChI=1S/C7H8ClN2O7PS/c8-6-2-1-5(3-7(6)10(11)12)19(16,17)9-4-18(13,14)15/h1-3,9H,4H2,(H2,13,14,15)
InChIKeyPJPIHUPLWCHNLY-UHFFFAOYSA-N
MW330.64 g/mol
LogP0.66
Rot. Bonds5

About [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid

[(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid (PubChem CID 22179300) has the molecular formula C7H8ClN2O7PS and a molecular weight of 330.64 g/mol. Its IUPAC name is [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid.

Molecular Properties

Compound Name[(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid
PubChem CID22179300
Molecular FormulaC7H8ClN2O7PS
Molecular Weight330.64 g/mol
Exact Mass329.95
IUPAC Name[(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCP(=O)(O)O)ccc1Cl
InChIInChI=1S/C7H8ClN2O7PS/c8-6-2-1-5(3-7(6)10(11)12)19(16,17)9-4-18(13,14)15/h1-3,9H,4H2,(H2,13,14,15)
InChIKeyPJPIHUPLWCHNLY-UHFFFAOYSA-N
XLogP0.66
TPSA146.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic 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

4-chloro-N-(2-chloroethyl)-3-nitrobenzenesulfonamide
CID 61288897
4-chloro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034448
3-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoate
CID 7062896
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43397585
4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-nitrobenzenesulfonamide
CID 115454532
4-chloro-3-nitro-N-pent-4-ynylbenzenesulfonamide
CID 106221026
2-[(4-chloro-3-nitrophenyl)sulfonylamino]oxyacetamide
CID 112673489
4-chloro-N-(4-methylpentyl)-3-nitrobenzenesulfonamide
CID 61046724
4-chloro-N-(2-ethoxyethyl)-3-nitrobenzenesulfonamide
CID 43591364
potassium 4-chloro-3-nitrobenzenesulfonic acid
CID 54600427
4-[[(4-chloro-3-nitrophenyl)sulfonylamino]methyl]benzamide
CID 108783391
2-[(4-chloro-3-nitrophenyl)sulfonylamino]ethyl-methylcarbamic acid
CID 139396861

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid?
The IUPAC name of [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid (CID 22179300) is [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid.
What is the SMILES notation for [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid?
The canonical SMILES for [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid is O=[N+]([O-])c1cc(S(=O)(=O)NCP(=O)(O)O)ccc1Cl.
What is the InChIKey of [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid?
The InChIKey is PJPIHUPLWCHNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN2O7PS/c8-6-2-1-5(3-7(6)10(11)12)19(16,17)9-4-18(13,14)15/h1-3,9H,4H2,(H2,13,14,15).
What are the key properties of [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid?
[(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid has a molecular weight of 330.64 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-3-nitrophenyl)sulfonylamino]methylphosphonic acid is sourced from PubChem (CID 22179300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).