N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide

C21H20F3N3O3S — CID 17087889

IUPACN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
SMILESO=C1N(C2CCCC2)C(c2ccccc2)=NC1(NS(=O)(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H20F3N3O3S/c22-21(23,24)20(26-31(29,30)17-13-5-2-6-14-17)19(28)27(16-11-7-8-12-16)18(25-20)15-9-3-1-4-10-15/h1-6,9-10,13-14,16,26H,7-8,11-12H2
InChIKeyMNAZWVPZDCKEKR-UHFFFAOYSA-N
MW451.47 g/mol
LogP3.46
Rot. Bonds5

About N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide

N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide (PubChem CID 17087889) has the molecular formula C21H20F3N3O3S and a molecular weight of 451.47 g/mol. Its IUPAC name is N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
PubChem CID17087889
Molecular FormulaC21H20F3N3O3S
Molecular Weight451.47 g/mol
Exact Mass451.12
IUPAC NameN-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
SMILESO=C1N(C2CCCC2)C(c2ccccc2)=NC1(NS(=O)(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H20F3N3O3S/c22-21(23,24)20(26-31(29,30)17-13-5-2-6-14-17)19(28)27(16-11-7-8-12-16)18(25-20)15-9-3-1-4-10-15/h1-6,9-10,13-14,16,26H,7-8,11-12H2
InChIKeyMNAZWVPZDCKEKR-UHFFFAOYSA-N
XLogP3.46
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide (CID 17087889) is N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide is O=C1N(C2CCCC2)C(c2ccccc2)=NC1(NS(=O)(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
The InChIKey is MNAZWVPZDCKEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3S/c22-21(23,24)20(26-31(29,30)17-13-5-2-6-14-17)19(28)27(16-11-7-8-12-16)18(25-20)15-9-3-1-4-10-15/h1-6,9-10,13-14,16,26H,7-8,11-12H2.
What are the key properties of N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide?
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide has a molecular weight of 451.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 17087889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).