4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide

C13H21F2N3O2S — CID 138013488

IUPAC4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide
SMILESCCn1ccnc1CNS(=O)(=O)C1CCC(C(F)F)CC1
InChIInChI=1S/C13H21F2N3O2S/c1-2-18-8-7-16-12(18)9-17-21(19,20)11-5-3-10(4-6-11)13(14)15/h7-8,10-11,13,17H,2-6,9H2,1H3
InChIKeyFGURFZLXMJYBNI-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.15
Rot. Bonds6

About 4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide

4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide (PubChem CID 138013488) has the molecular formula C13H21F2N3O2S and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide
PubChem CID138013488
Molecular FormulaC13H21F2N3O2S
Molecular Weight321.39 g/mol
Exact Mass321.13
IUPAC Name4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide
SMILESCCn1ccnc1CNS(=O)(=O)C1CCC(C(F)F)CC1
InChIInChI=1S/C13H21F2N3O2S/c1-2-18-8-7-16-12(18)9-17-21(19,20)11-5-3-10(4-6-11)13(14)15/h7-8,10-11,13,17H,2-6,9H2,1H3
InChIKeyFGURFZLXMJYBNI-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclohexylmethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 132426927
1-(1-cyanocyclopentyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide
CID 75450388
1-cyclopentyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]methanesulfonamide
CID 125435168
2-(3-methylimidazol-3-ium-1-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 58864684
2-(1-methylimidazol-2-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 91241686
1-Butyl-2-hexan-3-yl-3-methylsulfonylimidazol-1-ium;trifluoromethanesulfinate
CID 175495041
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-(2-methylpropylsulfonyl)piperazine
CID 71972863
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552357
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 92108780
1-[(3,3-Difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide
CID 114225521
1-(1-bicyclo[2.2.1]heptanyl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanesulfonamide
CID 128469585
N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)cyclohexane-1-sulfonamide
CID 128577152

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide?
The IUPAC name of 4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide (CID 138013488) is 4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide?
The canonical SMILES for 4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide is CCn1ccnc1CNS(=O)(=O)C1CCC(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide?
The InChIKey is FGURFZLXMJYBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2S/c1-2-18-8-7-16-12(18)9-17-21(19,20)11-5-3-10(4-6-11)13(14)15/h7-8,10-11,13,17H,2-6,9H2,1H3.
What are the key properties of 4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide?
4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide has a molecular weight of 321.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[(1-ethylimidazol-2-yl)methyl]cyclohexane-1-sulfonamide is sourced from PubChem (CID 138013488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).