N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide

C13H12F3NO3S — CID 101229344

IUPACN-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide
SMILESCc1ccc(N(Cc2ccccc2)S(=O)(=O)C(F)(F)F)o1
InChIInChI=1S/C13H12F3NO3S/c1-10-7-8-12(20-10)17(21(18,19)13(14,15)16)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeySBNLWFMDZCMQTR-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.44
Rot. Bonds4

About N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide

N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide (PubChem CID 101229344) has the molecular formula C13H12F3NO3S and a molecular weight of 319.30 g/mol. Its IUPAC name is N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide
PubChem CID101229344
Molecular FormulaC13H12F3NO3S
Molecular Weight319.30 g/mol
Exact Mass319.05
IUPAC NameN-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide
SMILESCc1ccc(N(Cc2ccccc2)S(=O)(=O)C(F)(F)F)o1
InChIInChI=1S/C13H12F3NO3S/c1-10-7-8-12(20-10)17(21(18,19)13(14,15)16)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeySBNLWFMDZCMQTR-UHFFFAOYSA-N
XLogP3.44
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide?
The IUPAC name of N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide (CID 101229344) is N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide.
What is the SMILES notation for N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide?
The canonical SMILES for N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide is Cc1ccc(N(Cc2ccccc2)S(=O)(=O)C(F)(F)F)o1.
What is the InChIKey of N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide?
The InChIKey is SBNLWFMDZCMQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3S/c1-10-7-8-12(20-10)17(21(18,19)13(14,15)16)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide?
N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide has a molecular weight of 319.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,1-trifluoro-N-(5-methylfuran-2-yl)methanesulfonamide is sourced from PubChem (CID 101229344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).