N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide

C18H14F3NO2S2 — CID 71809991

IUPACN-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1-c1ccsc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3NO2S2/c19-18(20,21)16-7-3-4-8-17(16)26(23,24)22-11-13-5-1-2-6-15(13)14-9-10-25-12-14/h1-10,12,22H,11H2
InChIKeyXZTNUAZBKODRPL-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.91
Rot. Bonds5

About N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide

N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 71809991) has the molecular formula C18H14F3NO2S2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID71809991
Molecular FormulaC18H14F3NO2S2
Molecular Weight397.44 g/mol
Exact Mass397.04
IUPAC NameN-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1-c1ccsc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3NO2S2/c19-18(20,21)16-7-3-4-8-17(16)26(23,24)22-11-13-5-1-2-6-15(13)14-9-10-25-12-14/h1-10,12,22H,11H2
InChIKeyXZTNUAZBKODRPL-UHFFFAOYSA-N
XLogP4.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylthiophene-2-sulfonamide
CID 765826
4-fluoro-N-[(3-methyl-2-thienyl)methyl]benzenesulfonamide
CID 2811531
2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6461005
[3-Fluoro-5-(3-methylsulfonyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine
CID 130344958
US10807974, Example 80
CID 130358062
4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 5190927
N-(1-benzothiophen-3-ylmethyl)-4-fluorobenzenesulfonamide
CID 2826148
US10807974, Example 7
CID 130345192
[5-(3-Methylsulfonyl-4-phenylphenyl)sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345113
US10807974, Example 129
CID 130345114
[5-[3-(4-Fluorophenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345251
US10807974, Example 84
CID 130345252

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 71809991) is N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccccc1-c1ccsc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XZTNUAZBKODRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2S2/c19-18(20,21)16-7-3-4-8-17(16)26(23,24)22-11-13-5-1-2-6-15(13)14-9-10-25-12-14/h1-10,12,22H,11H2.
What are the key properties of N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 397.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-ylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71809991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).