N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide

C14H12F3NO3S2 — CID 25023815

IUPACN-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C14H12F3NO3S2/c1-18(9-10-5-3-2-4-6-10)23(20,21)12-8-7-11(22-12)13(19)14(15,16)17/h2-8H,9H2,1H3
InChIKeyQMDPGLMZJJTIKT-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.31
Rot. Bonds5

About N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide

N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide (PubChem CID 25023815) has the molecular formula C14H12F3NO3S2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide
PubChem CID25023815
Molecular FormulaC14H12F3NO3S2
Molecular Weight363.38 g/mol
Exact Mass363.02
IUPAC NameN-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C14H12F3NO3S2/c1-18(9-10-5-3-2-4-6-10)23(20,21)12-8-7-11(22-12)13(19)14(15,16)17/h2-8H,9H2,1H3
InChIKeyQMDPGLMZJJTIKT-UHFFFAOYSA-N
XLogP3.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide (CID 25023815) is N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide?
The InChIKey is QMDPGLMZJJTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S2/c1-18(9-10-5-3-2-4-6-10)23(20,21)12-8-7-11(22-12)13(19)14(15,16)17/h2-8H,9H2,1H3.
What are the key properties of N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide?
N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide has a molecular weight of 363.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-(2,2,2-trifluoroacetyl)thiophene-2-sulfonamide is sourced from PubChem (CID 25023815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).