1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide

C12H19F2N3O2S — CID 114225521

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CC1CCCC(F)(F)C1
InChIInChI=1S/C12H19F2N3O2S/c1-2-10-16-11(20(15,18)19)8-17(10)7-9-4-3-5-12(13,14)6-9/h8-9H,2-7H2,1H3,(H2,15,18,19)
InChIKeyPHZUOQVYAWFRQU-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.92
Rot. Bonds4

About 1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide

1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide (PubChem CID 114225521) has the molecular formula C12H19F2N3O2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide
PubChem CID114225521
Molecular FormulaC12H19F2N3O2S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide
SMILESCCc1nc(S(N)(=O)=O)cn1CC1CCCC(F)(F)C1
InChIInChI=1S/C12H19F2N3O2S/c1-2-10-16-11(20(15,18)19)8-17(10)7-9-4-3-5-12(13,14)6-9/h8-9H,2-7H2,1H3,(H2,15,18,19)
InChIKeyPHZUOQVYAWFRQU-UHFFFAOYSA-N
XLogP1.92
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-Dimethylimidazol-4-yl)sulfonyl-1-thia-4-azaspiro[5.5]undecane
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2-(1,2-Dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane
CID 71997293
1-Cyclohexylmethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
CID 132426927
1-[[1-(1,2-Dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine
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3-ethyl-N-methyl-N-(1-methylcyclopentyl)imidazole-4-sulfonamide
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(3S)-1-(3-ethylimidazol-4-yl)sulfonyl-3-methylpiperidine
CID 164631900
[4,4-Difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methanamine
CID 58561848
4,4-Difluoro-1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexane-1-carbonitrile
CID 58561958
7-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonyl chloride
CID 170733410
1-Butyl-2-hexan-3-yl-3-methylsulfonylimidazol-1-ium;trifluoromethanesulfinate
CID 175495041
(3S,4S)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperidine
CID 177300111
(3S,4R)-3-fluoro-1-(1-methylimidazol-4-yl)sulfonyl-4-propan-2-ylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide (CID 114225521) is 1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide is CCc1nc(S(N)(=O)=O)cn1CC1CCCC(F)(F)C1.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide?
The InChIKey is PHZUOQVYAWFRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2S/c1-2-10-16-11(20(15,18)19)8-17(10)7-9-4-3-5-12(13,14)6-9/h8-9H,2-7H2,1H3,(H2,15,18,19).
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide?
1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide has a molecular weight of 307.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-2-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 114225521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).