N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide

C15H16F3N3O3S — CID 86812920

IUPACN-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCCc1nccn1CC(F)(F)F)c1ccc2c(c1)COC2
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)10-21-6-5-19-14(21)3-4-20-25(22,23)13-2-1-11-8-24-9-12(11)7-13/h1-2,5-7,20H,3-4,8-10H2
InChIKeyVZKKVXGPESVCMS-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.00
Rot. Bonds6

About N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide

N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide (PubChem CID 86812920) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
PubChem CID86812920
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCCc1nccn1CC(F)(F)F)c1ccc2c(c1)COC2
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)10-21-6-5-19-14(21)3-4-20-25(22,23)13-2-1-11-8-24-9-12(11)7-13/h1-2,5-7,20H,3-4,8-10H2
InChIKeyVZKKVXGPESVCMS-UHFFFAOYSA-N
XLogP2.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide (CID 86812920) is N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide is O=S(=O)(NCCc1nccn1CC(F)(F)F)c1ccc2c(c1)COC2.
What is the InChIKey of N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
The InChIKey is VZKKVXGPESVCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c16-15(17,18)10-21-6-5-19-14(21)3-4-20-25(22,23)13-2-1-11-8-24-9-12(11)7-13/h1-2,5-7,20H,3-4,8-10H2.
What are the key properties of N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide?
N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide has a molecular weight of 375.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]ethyl]-1,3-dihydro-2-benzofuran-5-sulfonamide is sourced from PubChem (CID 86812920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).