N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide

C15H16F3NO3S2 — CID 166174690

IUPACN-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1
InChIInChI=1S/C15H16F3NO3S2/c1-14(2,3)19-24(20,21)13-8-7-12(23-13)10-5-4-6-11(9-10)22-15(16,17)18/h4-9,19H,1-3H3
InChIKeyABDQHSAMXKEVAL-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.39
Rot. Bonds4

About N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide

N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 166174690) has the molecular formula C15H16F3NO3S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID166174690
Molecular FormulaC15H16F3NO3S2
Molecular Weight379.43 g/mol
Exact Mass379.05
IUPAC NameN-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1
InChIInChI=1S/C15H16F3NO3S2/c1-14(2,3)19-24(20,21)13-8-7-12(23-13)10-5-4-6-11(9-10)22-15(16,17)18/h4-9,19H,1-3H3
InChIKeyABDQHSAMXKEVAL-UHFFFAOYSA-N
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylphenyl)sulfonylamino]-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid
CID 10226303
2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134626076
3-[1-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]sulfonylindol-3-yl]propanoic acid
CID 58837725
2-[3-(trifluoromethoxy)phenyl]thiophene
CID 69382382
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 170502246
N-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 2795582
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 159317839
[3-(trifluoromethoxy)phenyl] methanesulfonate
CID 18424473
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38259281
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 60531938

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 166174690) is N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1.
What is the InChIKey of N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is ABDQHSAMXKEVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3S2/c1-14(2,3)19-24(20,21)13-8-7-12(23-13)10-5-4-6-11(9-10)22-15(16,17)18/h4-9,19H,1-3H3.
What are the key properties of N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 379.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[3-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 166174690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).