[[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid

C15H19N4O6PS — CID 118395397

IUPAC[[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid
SMILESCOc1ccc(S(=O)(=O)NC(c2ccc(N=C(N)N)cc2)P(=O)(O)O)cc1
InChIInChI=1S/C15H19N4O6PS/c1-25-12-6-8-13(9-7-12)27(23,24)19-14(26(20,21)22)10-2-4-11(5-3-10)18-15(16)17/h2-9,14,19H,1H3,(H4,16,17,18)(H2,20,21,22)
InChIKeyBBSGGFRQWLWKHC-UHFFFAOYSA-N
MW414.38 g/mol
LogP0.75
Rot. Bonds7

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

[[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid (PubChem CID 118395397) has the molecular formula C15H19N4O6PS and a molecular weight of 414.38 g/mol. Its IUPAC name is [[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid.

Molecular Properties

Compound Name[[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid
PubChem CID118395397
Molecular FormulaC15H19N4O6PS
Molecular Weight414.38 g/mol
Exact Mass414.08
IUPAC Name[[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid
SMILESCOc1ccc(S(=O)(=O)NC(c2ccc(N=C(N)N)cc2)P(=O)(O)O)cc1
InChIInChI=1S/C15H19N4O6PS/c1-25-12-6-8-13(9-7-12)27(23,24)19-14(26(20,21)22)10-2-4-11(5-3-10)18-15(16)17/h2-9,14,19H,1H3,(H4,16,17,18)(H2,20,21,22)
InChIKeyBBSGGFRQWLWKHC-UHFFFAOYSA-N
XLogP0.75
TPSA177.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 50.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic 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

[(1S)-1-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-methylpropyl]phosphonic acid
CID 6540261
1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine
CID 168602860
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
[amino-[4-(diaminomethylideneamino)phenyl]methyl]phosphonic acid
CID 71734417
2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide
CID 169366539
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082

Frequently Asked Questions

What is the IUPAC name of [[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid?
The IUPAC name of [[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid (CID 118395397) is [[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid.
What is the SMILES notation for [[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid?
The canonical SMILES for [[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid is COc1ccc(S(=O)(=O)NC(c2ccc(N=C(N)N)cc2)P(=O)(O)O)cc1.
What is the InChIKey of [[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid?
The InChIKey is BBSGGFRQWLWKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N4O6PS/c1-25-12-6-8-13(9-7-12)27(23,24)19-14(26(20,21)22)10-2-4-11(5-3-10)18-15(16)17/h2-9,14,19H,1H3,(H4,16,17,18)(H2,20,21,22).
What are the key properties of [[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid?
[[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid has a molecular weight of 414.38 g/mol, XLogP of 0.75, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(diaminomethylideneamino)phenyl]-[(4-methoxyphenyl)sulfonylamino]methyl]phosphonic acid is sourced from PubChem (CID 118395397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).