3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide

C18H19Cl2N2O4PS — CID 143753339

IUPAC3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide
SMILESCCOP(OCC)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H19Cl2N2O4PS/c1-3-25-27(26-4-2)22(16-5-6-18-13(9-16)7-8-21-18)28(23,24)17-11-14(19)10-15(20)12-17/h5-12,21H,3-4H2,1-2H3
InChIKeyMNPBLPJWUMWRNT-UHFFFAOYSA-N
MW461.31 g/mol
LogP5.97
Rot. Bonds8

About 3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide

3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide (PubChem CID 143753339) has the molecular formula C18H19Cl2N2O4PS and a molecular weight of 461.31 g/mol. Its IUPAC name is 3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide
PubChem CID143753339
Molecular FormulaC18H19Cl2N2O4PS
Molecular Weight461.31 g/mol
Exact Mass460.02
IUPAC Name3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide
SMILESCCOP(OCC)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H19Cl2N2O4PS/c1-3-25-27(26-4-2)22(16-5-6-18-13(9-16)7-8-21-18)28(23,24)17-11-14(19)10-15(20)12-17/h5-12,21H,3-4H2,1-2H3
InChIKeyMNPBLPJWUMWRNT-UHFFFAOYSA-N
XLogP5.97
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.31
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide (CID 143753339) is 3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide is CCOP(OCC)N(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide?
The InChIKey is MNPBLPJWUMWRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N2O4PS/c1-3-25-27(26-4-2)22(16-5-6-18-13(9-16)7-8-21-18)28(23,24)17-11-14(19)10-15(20)12-17/h5-12,21H,3-4H2,1-2H3.
What are the key properties of 3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide?
3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide has a molecular weight of 461.31 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 143753339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).