N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide

C14H12F3NO3S — CID 11348100

IUPACN-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO3S/c1-22(19,20)18-12-6-2-10(3-7-12)11-4-8-13(9-5-11)21-14(15,16)17/h2-9,18H,1H3
InChIKeyZVCIOOZRRPFPGF-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.62
Rot. Bonds4

About N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide

N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide (PubChem CID 11348100) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide
PubChem CID11348100
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC NameN-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO3S/c1-22(19,20)18-12-6-2-10(3-7-12)11-4-8-13(9-5-11)21-14(15,16)17/h2-9,18H,1H3
InChIKeyZVCIOOZRRPFPGF-UHFFFAOYSA-N
XLogP3.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide (CID 11348100) is N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide?
The InChIKey is ZVCIOOZRRPFPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S/c1-22(19,20)18-12-6-2-10(3-7-12)11-4-8-13(9-5-11)21-14(15,16)17/h2-9,18H,1H3.
What are the key properties of N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide?
N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide has a molecular weight of 331.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethoxy)phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11348100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).