N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide

C15H12F5NO3S — CID 39794775

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12F5NO3S/c16-14(17)24-11-7-5-10(6-8-11)9-21-25(22,23)13-4-2-1-3-12(13)15(18,19)20/h1-8,14,21H,9H2
InChIKeyHVZORHOWBHJWRL-UHFFFAOYSA-N
MW381.32 g/mol
LogP3.79
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 39794775) has the molecular formula C15H12F5NO3S and a molecular weight of 381.32 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID39794775
Molecular FormulaC15H12F5NO3S
Molecular Weight381.32 g/mol
Exact Mass381.05
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12F5NO3S/c16-14(17)24-11-7-5-10(6-8-11)9-21-25(22,23)13-4-2-1-3-12(13)15(18,19)20/h1-8,14,21H,9H2
InChIKeyHVZORHOWBHJWRL-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 39794775) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HVZORHOWBHJWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5NO3S/c16-14(17)24-11-7-5-10(6-8-11)9-21-25(22,23)13-4-2-1-3-12(13)15(18,19)20/h1-8,14,21H,9H2.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 381.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 39794775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).