N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide

C12H10F3NO3S2 — CID 3247487

IUPACN-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H10F3NO3S2/c13-12(14,15)19-9-3-5-11(6-4-9)21(17,18)16-8-10-2-1-7-20-10/h1-7,16H,8H2
InChIKeyILZGTPDWQRGELV-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.13
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3247487) has the molecular formula C12H10F3NO3S2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3247487
Molecular FormulaC12H10F3NO3S2
Molecular Weight337.34 g/mol
Exact Mass337.01
IUPAC NameN-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H10F3NO3S2/c13-12(14,15)19-9-3-5-11(6-4-9)21(17,18)16-8-10-2-1-7-20-10/h1-7,16H,8H2
InChIKeyILZGTPDWQRGELV-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122264443
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3258852
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 100689408
3-amino-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43363753
1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
CID 17422638
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 3247487) is N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ILZGTPDWQRGELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S2/c13-12(14,15)19-9-3-5-11(6-4-9)21(17,18)16-8-10-2-1-7-20-10/h1-7,16H,8H2.
What are the key properties of N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 337.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3247487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).