N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide

C13H10F3NO3S2 — CID 68513237

IUPACN-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C13H10F3NO3S2/c1-22(19,20)17-9-4-2-8(3-5-9)10-6-7-11(21-10)12(18)13(14,15)16/h2-7,17H,1H3
InChIKeyOIHDSXAZQBKHLG-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.53
Rot. Bonds4

About N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide

N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide (PubChem CID 68513237) has the molecular formula C13H10F3NO3S2 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide
PubChem CID68513237
Molecular FormulaC13H10F3NO3S2
Molecular Weight349.36 g/mol
Exact Mass349.01
IUPAC NameN-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C13H10F3NO3S2/c1-22(19,20)17-9-4-2-8(3-5-9)10-6-7-11(21-10)12(18)13(14,15)16/h2-7,17H,1H3
InChIKeyOIHDSXAZQBKHLG-UHFFFAOYSA-N
XLogP3.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide (CID 68513237) is N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1.
What is the InChIKey of N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide?
The InChIKey is OIHDSXAZQBKHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S2/c1-22(19,20)17-9-4-2-8(3-5-9)10-6-7-11(21-10)12(18)13(14,15)16/h2-7,17H,1H3.
What are the key properties of N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide?
N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide has a molecular weight of 349.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 68513237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).