N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide

C11H15F3NO5PS — CID 10498785

IUPACN-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide
SMILESCCOP(=O)(OCC)N(c1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H15F3NO5PS/c1-3-19-21(16,20-4-2)15(10-8-6-5-7-9-10)22(17,18)11(12,13)14/h5-9H,3-4H2,1-2H3
InChIKeyYEWKGLUHESPIGI-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.52
Rot. Bonds7

About N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide

N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide (PubChem CID 10498785) has the molecular formula C11H15F3NO5PS and a molecular weight of 361.28 g/mol. Its IUPAC name is N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide
PubChem CID10498785
Molecular FormulaC11H15F3NO5PS
Molecular Weight361.28 g/mol
Exact Mass361.04
IUPAC NameN-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide
SMILESCCOP(=O)(OCC)N(c1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H15F3NO5PS/c1-3-19-21(16,20-4-2)15(10-8-6-5-7-9-10)22(17,18)11(12,13)14/h5-9H,3-4H2,1-2H3
InChIKeyYEWKGLUHESPIGI-UHFFFAOYSA-N
XLogP3.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(benzenesulfonyl-diethoxyphosphoryl-fluoromethyl)phosphonic acid
CID 54283121
3-(N-diethoxyphosphorylanilino)butan-2-one
CID 101459765
1,1,1-trifluoro-N-phenyl-N-(trifluoromethoxy)methanesulfonamide
CID 87990871
[benzyl(ethoxy)phosphoryl] trifluoromethanesulfonate
CID 154620403
(3-diethoxyphosphoryl-3,3-difluoropropyl)sulfonylbenzene
CID 15305264
hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 159794587
N-diethoxyphosphoryl-N-(1,2,2-trichloroethenyl)benzenesulfonamide
CID 11247240
N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline
CID 139617571
N,N-diphenylaniline;trifluoromethanesulfonic acid
CID 86094513
2-diethoxyphosphoryl-2-fluoro-2-phenylacetonitrile
CID 15446190
1-[ethoxy(2,2,2-trifluoroethyl)phosphoryl]-2-fluorobenzene
CID 66797107
4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
CID 170420991

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide?
The IUPAC name of N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide (CID 10498785) is N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide.
What is the SMILES notation for N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide?
The canonical SMILES for N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide is CCOP(=O)(OCC)N(c1ccccc1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide?
The InChIKey is YEWKGLUHESPIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3NO5PS/c1-3-19-21(16,20-4-2)15(10-8-6-5-7-9-10)22(17,18)11(12,13)14/h5-9H,3-4H2,1-2H3.
What are the key properties of N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide?
N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide has a molecular weight of 361.28 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide is sourced from PubChem (CID 10498785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).