N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide

C29H23N2O5PS — CID 2320675

IUPACN-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide
SMILESO=[N+]([O-])c1ccccc1[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23N2O5PS/c32-31(33)28-18-10-9-17-27(28)29(30-38(35,36)26-20-19-22-11-7-8-12-23(22)21-26)37(34,24-13-3-1-4-14-24)25-15-5-2-6-16-25/h1-21,29-30H/t29-/m0/s1
InChIKeyHIUYOGRQOUJUAD-LJAQVGFWSA-N
MW542.55 g/mol
LogP5.74
Rot. Bonds8

About N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide

N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide (PubChem CID 2320675) has the molecular formula C29H23N2O5PS and a molecular weight of 542.55 g/mol. Its IUPAC name is N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide
PubChem CID2320675
Molecular FormulaC29H23N2O5PS
Molecular Weight542.55 g/mol
Exact Mass542.11
IUPAC NameN-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide
SMILESO=[N+]([O-])c1ccccc1[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23N2O5PS/c32-31(33)28-18-10-9-17-27(28)29(30-38(35,36)26-20-19-22-11-7-8-12-23(22)21-26)37(34,24-13-3-1-4-14-24)25-15-5-2-6-16-25/h1-21,29-30H/t29-/m0/s1
InChIKeyHIUYOGRQOUJUAD-LJAQVGFWSA-N
XLogP5.74
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.55
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
propan-2-yl 3-(naphthalen-2-ylsulfonylamino)-3-(2-nitrophenyl)propanoate
CID 55434667
N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 2945239
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
2-(2,4-dinitrophenyl)sulfonylnaphthalene
CID 3090496
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 2431733
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028

Frequently Asked Questions

What is the IUPAC name of N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide (CID 2320675) is N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide is O=[N+]([O-])c1ccccc1[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide?
The InChIKey is HIUYOGRQOUJUAD-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H23N2O5PS/c32-31(33)28-18-10-9-17-27(28)29(30-38(35,36)26-20-19-22-11-7-8-12-23(22)21-26)37(34,24-13-3-1-4-14-24)25-15-5-2-6-16-25/h1-21,29-30H/t29-/m0/s1.
What are the key properties of N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide?
N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide has a molecular weight of 542.55 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 2320675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).