N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide

C14H16F3N3O2S — CID 131934723

IUPACN-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCC(Cn1ccnc1)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-2-11(9-20-8-7-18-10-20)19-23(21,22)13-6-4-3-5-12(13)14(15,16)17/h3-8,10-11,19H,2,9H2,1H3
InChIKeyFEKDCCGLVSJGNZ-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.66
Rot. Bonds6

About N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 131934723) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID131934723
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC NameN-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCC(Cn1ccnc1)NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-2-11(9-20-8-7-18-10-20)19-23(21,22)13-6-4-3-5-12(13)14(15,16)17/h3-8,10-11,19H,2,9H2,1H3
InChIKeyFEKDCCGLVSJGNZ-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 131934723) is N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide is CCC(Cn1ccnc1)NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FEKDCCGLVSJGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-2-11(9-20-8-7-18-10-20)19-23(21,22)13-6-4-3-5-12(13)14(15,16)17/h3-8,10-11,19H,2,9H2,1H3.
What are the key properties of N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 347.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylbutan-2-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 131934723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).