3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide

C26H33ClNO2PS — CID 134976913

IUPAC3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)CCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33ClNO2PS/c1-4-28(23(2)3)32(29,30)22-14-21-31(27,24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,23H,4,14,21-22H2,1-3H3
InChIKeyJSCAVZRZYSBATE-UHFFFAOYSA-N
MW490.05 g/mol
LogP5.12
Rot. Bonds10

About 3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide

3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 134976913) has the molecular formula C26H33ClNO2PS and a molecular weight of 490.05 g/mol. Its IUPAC name is 3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide
PubChem CID134976913
Molecular FormulaC26H33ClNO2PS
Molecular Weight490.05 g/mol
Exact Mass489.17
IUPAC Name3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)CCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33ClNO2PS/c1-4-28(23(2)3)32(29,30)22-14-21-31(27,24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,23H,4,14,21-22H2,1-3H3
InChIKeyJSCAVZRZYSBATE-UHFFFAOYSA-N
XLogP5.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.05
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide (CID 134976913) is 3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide is CCN(C(C)C)S(=O)(=O)CCCP(Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is JSCAVZRZYSBATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClNO2PS/c1-4-28(23(2)3)32(29,30)22-14-21-31(27,24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,23H,4,14,21-22H2,1-3H3.
What are the key properties of 3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide?
3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 490.05 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(triphenyl)-λ5-phosphanyl]-N-ethyl-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 134976913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).