N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide

C14H11F4NO3S — CID 31068795

IUPACN-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11F4NO3S/c15-11-6-2-1-5-10(11)9-19-23(20,21)13-8-4-3-7-12(13)22-14(16,17)18/h1-8,19H,9H2
InChIKeyDQFFNIKTVHGJMS-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.20
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 31068795) has the molecular formula C14H11F4NO3S and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID31068795
Molecular FormulaC14H11F4NO3S
Molecular Weight349.31 g/mol
Exact Mass349.04
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11F4NO3S/c15-11-6-2-1-5-10(11)9-19-23(20,21)13-8-4-3-7-12(13)22-14(16,17)18/h1-8,19H,9H2
InChIKeyDQFFNIKTVHGJMS-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]benzamide
CID 31816943
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 2578365
1-[(2-fluorophenyl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 52595761
methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate
CID 3750756
4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3753093
N-(1H-benzimidazol-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 6735005

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 31068795) is N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1ccccc1F)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DQFFNIKTVHGJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO3S/c15-11-6-2-1-5-10(11)9-19-23(20,21)13-8-4-3-7-12(13)22-14(16,17)18/h1-8,19H,9H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 349.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 31068795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).