N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide

C33H26NO3PS — CID 12010732

IUPACN-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C33H26NO3PS/c1-39(36,37)34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)38(35,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23,34H,1H3
InChIKeyGAIMCGHBXCGSMA-UHFFFAOYSA-N
MW547.62 g/mol
LogP6.67
Rot. Bonds6

About N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide

N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide (PubChem CID 12010732) has the molecular formula C33H26NO3PS and a molecular weight of 547.62 g/mol. Its IUPAC name is N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide
PubChem CID12010732
Molecular FormulaC33H26NO3PS
Molecular Weight547.62 g/mol
Exact Mass547.14
IUPAC NameN-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C33H26NO3PS/c1-39(36,37)34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)38(35,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23,34H,1H3
InChIKeyGAIMCGHBXCGSMA-UHFFFAOYSA-N
XLogP6.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.62
LogP ≤ 56.67
H-Bond Donors ≤ 51
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 N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide (CID 12010732) is N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide?
The InChIKey is GAIMCGHBXCGSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26NO3PS/c1-39(36,37)34-30-22-20-24-12-8-10-18-28(24)32(30)33-29-19-11-9-13-25(29)21-23-31(33)38(35,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23,34H,1H3.
What are the key properties of N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide?
N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide has a molecular weight of 547.62 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 12010732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).