[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid

C17H17Cl2N2O5PS — CID 88588690

IUPAC[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H17Cl2N2O5PS/c1-2-26-27(22,23)11-21(15-3-4-17-12(7-15)5-6-20-17)28(24,25)16-9-13(18)8-14(19)10-16/h3-10,20H,2,11H2,1H3,(H,22,23)
InChIKeyPJOFKTPEIXCEGX-UHFFFAOYSA-N
MW463.28 g/mol
LogP4.85
Rot. Bonds7

About [(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid

[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid (PubChem CID 88588690) has the molecular formula C17H17Cl2N2O5PS and a molecular weight of 463.28 g/mol. Its IUPAC name is [(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid.

Molecular Properties

Compound Name[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid
PubChem CID88588690
Molecular FormulaC17H17Cl2N2O5PS
Molecular Weight463.28 g/mol
Exact Mass462.00
IUPAC Name[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H17Cl2N2O5PS/c1-2-26-27(22,23)11-21(15-3-4-17-12(7-15)5-6-20-17)28(24,25)16-9-13(18)8-14(19)10-16/h3-10,20H,2,11H2,1H3,(H,22,23)
InChIKeyPJOFKTPEIXCEGX-UHFFFAOYSA-N
XLogP4.85
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.28
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate
CID 152669052
3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide
CID 143753339
[[1-(2-chloroacetyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 87469905
[(3,5-dichlorophenyl)sulfonyl-[3-(diethylcarbamoyl)-1-methylindazol-6-yl]amino]methylphosphonic acid
CID 59446558
3,5-dichloro-N-(diethoxyphosphorylmethyl)-N-(7-methylquinolin-8-yl)benzenesulfonamide
CID 59534080
[[1-(5-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 59446468
[[1-(5-carbamoylpyrazin-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 59446477
N,N-dimethyl-1H-indol-5-amine
CID 23274
[(3,5-dichlorophenyl)sulfonyl-(1-pyrimidin-2-yl-2,3-dihydroindol-5-yl)amino]methylphosphonic acid
CID 25147517
[(3,5-dichlorophenyl)sulfonyl-[1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)pyridazin-3-yl]indol-5-yl]amino]methylphosphonic acid
CID 59446491
3,5-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571909
N-ethyl-N-(1H-indol-5-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 119045405

Frequently Asked Questions

What is the IUPAC name of [(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid?
The IUPAC name of [(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid (CID 88588690) is [(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid.
What is the SMILES notation for [(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid?
The canonical SMILES for [(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid is CCOP(=O)(O)CN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid?
The InChIKey is PJOFKTPEIXCEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N2O5PS/c1-2-26-27(22,23)11-21(15-3-4-17-12(7-15)5-6-20-17)28(24,25)16-9-13(18)8-14(19)10-16/h3-10,20H,2,11H2,1H3,(H,22,23).
What are the key properties of [(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid?
[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid has a molecular weight of 463.28 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid is sourced from PubChem (CID 88588690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).