N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide

C14H20F3N3O3S — CID 154854938

IUPACN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCC[C@@H]1n1ccnc1)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3N3O3S/c15-14(16,17)13-8-10(4-7-23-13)24(21,22)19-11-2-1-3-12(11)20-6-5-18-9-20/h5-6,9-13,19H,1-4,7-8H2/t10?,11-,12+,13?/m1/s1
InChIKeyGSRIIOMJHRCACF-QBHFIFKDSA-N
MW367.39 g/mol
LogP2.01
Rot. Bonds4

About N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide

N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide (PubChem CID 154854938) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide
PubChem CID154854938
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC NameN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCC[C@@H]1n1ccnc1)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3N3O3S/c15-14(16,17)13-8-10(4-7-23-13)24(21,22)19-11-2-1-3-12(11)20-6-5-18-9-20/h5-6,9-13,19H,1-4,7-8H2/t10?,11-,12+,13?/m1/s1
InChIKeyGSRIIOMJHRCACF-QBHFIFKDSA-N
XLogP2.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide?
The IUPAC name of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide (CID 154854938) is N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide?
The canonical SMILES for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide is O=S(=O)(N[C@@H]1CCC[C@@H]1n1ccnc1)C1CCOC(C(F)(F)F)C1.
What is the InChIKey of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide?
The InChIKey is GSRIIOMJHRCACF-QBHFIFKDSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c15-14(16,17)13-8-10(4-7-23-13)24(21,22)19-11-2-1-3-12(11)20-6-5-18-9-20/h5-6,9-13,19H,1-4,7-8H2/t10?,11-,12+,13?/m1/s1.
What are the key properties of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide?
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide has a molecular weight of 367.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-2-(trifluoromethyl)oxane-4-sulfonamide is sourced from PubChem (CID 154854938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).