N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide

C17H12F3NO3S2 — CID 67299254

IUPACN-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1csc(-c2ccccc2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H12F3NO3S2/c18-17(19,20)24-14-8-4-5-9-16(14)26(22,23)21-13-10-15(25-11-13)12-6-2-1-3-7-12/h1-11,21H
InChIKeyCJFUTUOFUIXBNL-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.11
Rot. Bonds5

About N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide

N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 67299254) has the molecular formula C17H12F3NO3S2 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID67299254
Molecular FormulaC17H12F3NO3S2
Molecular Weight399.42 g/mol
Exact Mass399.02
IUPAC NameN-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1csc(-c2ccccc2)c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H12F3NO3S2/c18-17(19,20)24-14-8-4-5-9-16(14)26(22,23)21-13-10-15(25-11-13)12-6-2-1-3-7-12/h1-11,21H
InChIKeyCJFUTUOFUIXBNL-UHFFFAOYSA-N
XLogP5.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzyloxy)phenyl]thiophene-2-sulfonamide
CID 741639
[5-Phenyl-3-[(2,4,6-trifluorophenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68796196
[5-Phenyl-3-[(2,3,4-trifluorophenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68796349
[5-Phenyl-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68797883
[3-[(3,4-Difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68797892
[3-[(2,4-Difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate
CID 68798082
[5-Phenyl-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798411
[3-[(2,4-Difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68798552
[3-[(2-Methylphenyl)sulfonylamino]-5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl] hydrogen carbonate
CID 68799835
[5-Phenyl-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68800073
[5-Phenyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68800421
[3-[(2,5-Difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68800584

Frequently Asked Questions

What is the IUPAC name of N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide (CID 67299254) is N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1csc(-c2ccccc2)c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CJFUTUOFUIXBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3S2/c18-17(19,20)24-14-8-4-5-9-16(14)26(22,23)21-13-10-15(25-11-13)12-6-2-1-3-7-12/h1-11,21H.
What are the key properties of N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 399.42 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 67299254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).