N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C17H12F3NO3S2 — CID 71936757

IUPACN-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)c1cccs1
InChIInChI=1S/C17H12F3NO3S2/c18-17(19,20)14-11-13(24-12-5-2-1-3-6-12)8-9-15(14)21-26(22,23)16-7-4-10-25-16/h1-11,21H
InChIKeyXCMITFPAJBRXLW-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.36
Rot. Bonds5

About N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 71936757) has the molecular formula C17H12F3NO3S2 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID71936757
Molecular FormulaC17H12F3NO3S2
Molecular Weight399.42 g/mol
Exact Mass399.02
IUPAC NameN-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)c1cccs1
InChIInChI=1S/C17H12F3NO3S2/c18-17(19,20)14-11-13(24-12-5-2-1-3-6-12)8-9-15(14)21-26(22,23)16-7-4-10-25-16/h1-11,21H
InChIKeyXCMITFPAJBRXLW-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-2-sulfonamide
CID 4880029
N-{4-[(4-ethoxyphenyl)sulfamoyl]phenyl}thiophene-2-sulfonamide
CID 2176514
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2809563
N-[4-(benzyloxy)phenyl]thiophene-2-sulfonamide
CID 741639
N-(4-ethoxyphenyl)thiophene-2-sulfonamide
CID 765873
N-[4-(difluoromethoxy)phenyl]-2-thiophenesulfonamide
CID 726530
4-[4-[4-[4-Amino-3-(trifluoromethyl)phenoxy]phenyl]sulfonylphenoxy]-2-(trifluoromethyl)aniline
CID 22058911
N-(5-phenylthiophen-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 67299254
N-{3-Bromo-4-[(trifluoromethyl)oxy]phenyl}-4-(2-thienyl)benzenesulfonamide
CID 69198455
1,1,1-trifluoro-N-[2-[(3S)-3-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]phenyl]methanesulfonamide
CID 129195794
4-[[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]aniline
CID 140130291
4-[3-(Trifluoromethyl)thiophen-2-yl]oxyaniline
CID 142681764

Frequently Asked Questions

What is the IUPAC name of N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 71936757) is N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Oc2ccccc2)cc1C(F)(F)F)c1cccs1.
What is the InChIKey of N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is XCMITFPAJBRXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3S2/c18-17(19,20)14-11-13(24-12-5-2-1-3-6-12)8-9-15(14)21-26(22,23)16-7-4-10-25-16/h1-11,21H.
What are the key properties of N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 399.42 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenoxy-2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71936757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).