N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide

C18H22F2NO5PS — CID 86605697

IUPACN-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide
SMILESCCOP(=O)(OCC)C(F)(F)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22F2NO5PS/c1-3-25-27(22,26-4-2)18(19,20)16-12-10-15(11-13-16)14-21-28(23,24)17-8-6-5-7-9-17/h5-13,21H,3-4,14H2,1-2H3
InChIKeyHNARIZSHCGJNHL-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.48
Rot. Bonds10

About N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide

N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide (PubChem CID 86605697) has the molecular formula C18H22F2NO5PS and a molecular weight of 433.41 g/mol. Its IUPAC name is N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide
PubChem CID86605697
Molecular FormulaC18H22F2NO5PS
Molecular Weight433.41 g/mol
Exact Mass433.09
IUPAC NameN-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide
SMILESCCOP(=O)(OCC)C(F)(F)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22F2NO5PS/c1-3-25-27(22,26-4-2)18(19,20)16-12-10-15(11-13-16)14-21-28(23,24)17-8-6-5-7-9-17/h5-13,21H,3-4,14H2,1-2H3
InChIKeyHNARIZSHCGJNHL-UHFFFAOYSA-N
XLogP4.48
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
CID 15272442
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 3703506
(benzenesulfonyl-diethoxyphosphoryl-fluoromethyl)phosphonic acid
CID 54283121
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
CID 3780847
3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]prop-2-en-1-ol
CID 91554178
N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide
CID 15852324
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 15751182
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155

Frequently Asked Questions

What is the IUPAC name of N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide (CID 86605697) is N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide is CCOP(=O)(OCC)C(F)(F)c1ccc(CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is HNARIZSHCGJNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2NO5PS/c1-3-25-27(22,26-4-2)18(19,20)16-12-10-15(11-13-16)14-21-28(23,24)17-8-6-5-7-9-17/h5-13,21H,3-4,14H2,1-2H3.
What are the key properties of N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide?
N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 433.41 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 86605697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).