2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide

C14H14F3N3O3S — CID 10292047

IUPAC2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)Nc1cccc2c1OCCC2c1cnc[nH]1
InChIInChI=1S/C14H14F3N3O3S/c15-14(16,17)7-24(21,22)20-11-3-1-2-10-9(4-5-23-13(10)11)12-6-18-8-19-12/h1-3,6,8-9,20H,4-5,7H2,(H,18,19)
InChIKeySNYWYOCPVUZSBP-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.63
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide

2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide (PubChem CID 10292047) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide
PubChem CID10292047
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Name2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)Nc1cccc2c1OCCC2c1cnc[nH]1
InChIInChI=1S/C14H14F3N3O3S/c15-14(16,17)7-24(21,22)20-11-3-1-2-10-9(4-5-23-13(10)11)12-6-18-8-19-12/h1-3,6,8-9,20H,4-5,7H2,(H,18,19)
InChIKeySNYWYOCPVUZSBP-UHFFFAOYSA-N
XLogP2.63
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide (CID 10292047) is 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide is O=S(=O)(CC(F)(F)F)Nc1cccc2c1OCCC2c1cnc[nH]1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide?
The InChIKey is SNYWYOCPVUZSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c15-14(16,17)7-24(21,22)20-11-3-1-2-10-9(4-5-23-13(10)11)12-6-18-8-19-12/h1-3,6,8-9,20H,4-5,7H2,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide?
2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide has a molecular weight of 361.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(1H-imidazol-5-yl)-3,4-dihydro-2H-chromen-8-yl]ethanesulfonamide is sourced from PubChem (CID 10292047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).