[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid

C13H17N2O5PS — CID 10641161

IUPAC[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)NCP(=O)(O)O)cccc12
InChIInChI=1S/C13H17N2O5PS/c1-15(2)12-7-3-6-11-10(12)5-4-8-13(11)22(19,20)14-9-21(16,17)18/h3-8,14H,9H2,1-2H3,(H2,16,17,18)
InChIKeyIMUBWNWNTJGWRQ-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.32
Rot. Bonds5

About [[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid

[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid (PubChem CID 10641161) has the molecular formula C13H17N2O5PS and a molecular weight of 344.33 g/mol. Its IUPAC name is [[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid.

Molecular Properties

Compound Name[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid
PubChem CID10641161
Molecular FormulaC13H17N2O5PS
Molecular Weight344.33 g/mol
Exact Mass344.06
IUPAC Name[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)NCP(=O)(O)O)cccc12
InChIInChI=1S/C13H17N2O5PS/c1-15(2)12-7-3-6-11-10(12)5-4-8-13(11)22(19,20)14-9-21(16,17)18/h3-8,14H,9H2,1-2H3,(H2,16,17,18)
InChIKeyIMUBWNWNTJGWRQ-UHFFFAOYSA-N
XLogP1.32
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
[5-(dimethylamino)naphthalen-1-yl]sulfonylphosphonic acid
CID 23282453
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
CID 170856983
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
methyl (2S)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-methylpropanoate
CID 100613997
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
propan-2-yl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate
CID 3852604
5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 169437063
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752
N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide
CID 23378485

Frequently Asked Questions

What is the IUPAC name of [[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid?
The IUPAC name of [[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid (CID 10641161) is [[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid.
What is the SMILES notation for [[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid?
The canonical SMILES for [[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid is CN(C)c1cccc2c(S(=O)(=O)NCP(=O)(O)O)cccc12.
What is the InChIKey of [[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid?
The InChIKey is IMUBWNWNTJGWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2O5PS/c1-15(2)12-7-3-6-11-10(12)5-4-8-13(11)22(19,20)14-9-21(16,17)18/h3-8,14H,9H2,1-2H3,(H2,16,17,18).
What are the key properties of [[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid?
[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid has a molecular weight of 344.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid is sourced from PubChem (CID 10641161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).