3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide

C32H30NO3PS — CID 134821567

IUPAC3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide
SMILESCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cc2ccccc2cc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H30NO3PS/c1-3-33(25(2)26-15-7-4-8-16-26)38(35,36)32-24-28-18-14-13-17-27(28)23-31(32)37(34,29-19-9-5-10-20-29)30-21-11-6-12-22-30/h4-25H,3H2,1-2H3/t25-/m0/s1
InChIKeyTUJJACPTZFWKJD-VWLOTQADSA-N
MW539.64 g/mol
LogP6.25
Rot. Bonds8

About 3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide

3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide (PubChem CID 134821567) has the molecular formula C32H30NO3PS and a molecular weight of 539.64 g/mol. Its IUPAC name is 3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide
PubChem CID134821567
Molecular FormulaC32H30NO3PS
Molecular Weight539.64 g/mol
Exact Mass539.17
IUPAC Name3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide
SMILESCCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cc2ccccc2cc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H30NO3PS/c1-3-33(25(2)26-15-7-4-8-16-26)38(35,36)32-24-28-18-14-13-17-27(28)23-31(32)37(34,29-19-9-5-10-20-29)30-21-11-6-12-22-30/h4-25H,3H2,1-2H3/t25-/m0/s1
InChIKeyTUJJACPTZFWKJD-VWLOTQADSA-N
XLogP6.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide?
The IUPAC name of 3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide (CID 134821567) is 3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide?
The canonical SMILES for 3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide is CCN([C@@H](C)c1ccccc1)S(=O)(=O)c1cc2ccccc2cc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide?
The InChIKey is TUJJACPTZFWKJD-VWLOTQADSA-N. The full InChI is InChI=1S/C32H30NO3PS/c1-3-33(25(2)26-15-7-4-8-16-26)38(35,36)32-24-28-18-14-13-17-27(28)23-31(32)37(34,29-19-9-5-10-20-29)30-21-11-6-12-22-30/h4-25H,3H2,1-2H3/t25-/m0/s1.
What are the key properties of 3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide?
3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide has a molecular weight of 539.64 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-N-ethyl-N-[(1S)-1-phenylethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 134821567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).