N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide

C18H13F4NO2S2 — CID 43021402

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc(F)cc1)c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F4NO2S2/c19-13-9-7-12(8-10-13)17(15-5-3-11-26-15)23-27(24,25)16-6-2-1-4-14(16)18(20,21)22/h1-11,17,23H
InChIKeyJUNHYEWXDQBDSN-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.97
Rot. Bonds5

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 43021402) has the molecular formula C18H13F4NO2S2 and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID43021402
Molecular FormulaC18H13F4NO2S2
Molecular Weight415.43 g/mol
Exact Mass415.03
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc(F)cc1)c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F4NO2S2/c19-13-9-7-12(8-10-13)17(15-5-3-11-26-15)23-27(24,25)16-6-2-1-4-14(16)18(20,21)22/h1-11,17,23H
InChIKeyJUNHYEWXDQBDSN-UHFFFAOYSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-(trifluoromethyl)benzenesulfonamide
CID 2568637
1-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]methanesulfonamide
CID 63665118
methyl 3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]benzoate
CID 42888408
N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815899
N-[(R)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815903
7-(4-fluorophenyl)-7-[[2-(trifluoromethyl)phenyl]sulfonylamino]heptanoic acid
CID 139616889
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]morpholine-4-sulfonamide
CID 51335598
2,6-dichloro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
CID 24678420

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 43021402) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC(c1ccc(F)cc1)c1cccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JUNHYEWXDQBDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4NO2S2/c19-13-9-7-12(8-10-13)17(15-5-3-11-26-15)23-27(24,25)16-6-2-1-4-14(16)18(20,21)22/h1-11,17,23H.
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 415.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43021402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).