1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide

C14H12F3NO2S — CID 3761631

IUPAC1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H12F3NO2S/c15-12-6-11(7-13(16)14(12)17)8-18-21(19,20)9-10-4-2-1-3-5-10/h1-7,18H,8-9H2
InChIKeyBUSFOLKWHWSLLA-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.72
Rot. Bonds5

About 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide

1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide (PubChem CID 3761631) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
PubChem CID3761631
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H12F3NO2S/c15-12-6-11(7-13(16)14(12)17)8-18-21(19,20)9-10-4-2-1-3-5-10/h1-7,18H,8-9H2
InChIKeyBUSFOLKWHWSLLA-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
methyl 4-[(benzylsulfonylamino)methyl]-2-fluorobenzoate
CID 126506140
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
CID 17374357
2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 4994552
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 35388728
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide
CID 110780394
N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
3-(benzylsulfamoylmethyl)benzoic acid
CID 43362532

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide (CID 3761631) is 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide?
The InChIKey is BUSFOLKWHWSLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-12-6-11(7-13(16)14(12)17)8-18-21(19,20)9-10-4-2-1-3-5-10/h1-7,18H,8-9H2.
What are the key properties of 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide?
1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 3761631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).