N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide

C10H14F3N3O2S — CID 97351035

IUPACN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(N[C@@H](C1CCCC1)C(F)(F)F)c1cnc[nH]1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)9(7-3-1-2-4-7)16-19(17,18)8-5-14-6-15-8/h5-7,9,16H,1-4H2,(H,14,15)/t9-/m0/s1
InChIKeyQPSNDKSHTXQQAF-VIFPVBQESA-N
MW297.30 g/mol
LogP1.81
Rot. Bonds4

About N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide

N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide (PubChem CID 97351035) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide
PubChem CID97351035
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(N[C@@H](C1CCCC1)C(F)(F)F)c1cnc[nH]1
InChIInChI=1S/C10H14F3N3O2S/c11-10(12,13)9(7-3-1-2-4-7)16-19(17,18)8-5-14-6-15-8/h5-7,9,16H,1-4H2,(H,14,15)/t9-/m0/s1
InChIKeyQPSNDKSHTXQQAF-VIFPVBQESA-N
XLogP1.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 79872664
N-(4-bromocyclohexyl)-1H-imidazole-5-sulfonamide
CID 114295890
N-[(2R)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1H-imidazole-5-sulfonamide
CID 99793097
tert-butyl (2R)-2-(1H-imidazol-5-ylsulfonylamino)propanoate
CID 81005469
N-pent-1-yn-3-yl-1H-imidazole-5-sulfonamide
CID 106898626
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-imidazole-5-sulfonamide
CID 113239207
N-(3,5-dimethylcyclohexyl)-1H-imidazole-5-sulfonamide
CID 64724992
N-(2-methylpiperidin-3-yl)-1H-imidazole-5-sulfonamide;hydrochloride
CID 120726672
N-(3-oxopentan-2-yl)-1H-imidazole-5-sulfonamide
CID 64994110
N-pent-4-yn-2-yl-1H-imidazole-5-sulfonamide
CID 115662723
N-(2,3-dimethylcyclopentyl)-1H-imidazole-5-sulfonamide
CID 64923633
N-(1-ethylcyclobutyl)-1H-imidazole-5-sulfonamide
CID 115673541

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide (CID 97351035) is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide is O=S(=O)(N[C@@H](C1CCCC1)C(F)(F)F)c1cnc[nH]1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is QPSNDKSHTXQQAF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c11-10(12,13)9(7-3-1-2-4-7)16-19(17,18)8-5-14-6-15-8/h5-7,9,16H,1-4H2,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide?
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 97351035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).