N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide

C11H15F3NO2PS — CID 118475010

IUPACN-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCCCP(NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H15F3NO2PS/c1-2-3-9-18(10-7-5-4-6-8-10)15-19(16,17)11(12,13)14/h4-8,15H,2-3,9H2,1H3
InChIKeyPDPUIZQTTRARMK-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.95
Rot. Bonds6

About N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide

N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 118475010) has the molecular formula C11H15F3NO2PS and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID118475010
Molecular FormulaC11H15F3NO2PS
Molecular Weight313.28 g/mol
Exact Mass313.05
IUPAC NameN-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCCCP(NS(=O)(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H15F3NO2PS/c1-2-3-9-18(10-7-5-4-6-8-10)15-19(16,17)11(12,13)14/h4-8,15H,2-3,9H2,1H3
InChIKeyPDPUIZQTTRARMK-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[butyl(phenyl)phosphanyl]benzenesulfonamide
CID 118474039
1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide;N-tritylheptan-1-amine
CID 171930845
butyl-methyl-phenylphosphane
CID 14832966
butyl(triphenyl)boranuide;trifluoromethanesulfonic acid
CID 171925808
2-methylhexan-2-yl phenylmethanesulfonate
CID 139969051
nonane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175845377
butyl-phenyl-trimethylsilylphosphane
CID 15076364
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
magnesium;butyl-tert-butyl-phenylphosphane;dichloride
CID 174942565
phenyl-bis(trifluoromethylsulfonyl)phosphane
CID 87352746
dipentyl(phenyl)phosphane
CID 3085487
benzyl-butyl-ethylphosphane
CID 54234955

Frequently Asked Questions

What is the IUPAC name of N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide (CID 118475010) is N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide is CCCCP(NS(=O)(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is PDPUIZQTTRARMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3NO2PS/c1-2-3-9-18(10-7-5-4-6-8-10)15-19(16,17)11(12,13)14/h4-8,15H,2-3,9H2,1H3.
What are the key properties of N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide?
N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 313.28 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butyl(phenyl)phosphanyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 118475010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).