1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide

C12H19F2N3O2S — CID 114225520

IUPAC1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide
SMILESCCCc1nc(S(N)(=O)=O)cn1CC1CCC(F)(F)C1
InChIInChI=1S/C12H19F2N3O2S/c1-2-3-10-16-11(20(15,18)19)8-17(10)7-9-4-5-12(13,14)6-9/h8-9H,2-7H2,1H3,(H2,15,18,19)
InChIKeyOOHSTEDDULJVIE-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.92
Rot. Bonds5

About 1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide

1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide (PubChem CID 114225520) has the molecular formula C12H19F2N3O2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide
PubChem CID114225520
Molecular FormulaC12H19F2N3O2S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide
SMILESCCCc1nc(S(N)(=O)=O)cn1CC1CCC(F)(F)C1
InChIInChI=1S/C12H19F2N3O2S/c1-2-3-10-16-11(20(15,18)19)8-17(10)7-9-4-5-12(13,14)6-9/h8-9H,2-7H2,1H3,(H2,15,18,19)
InChIKeyOOHSTEDDULJVIE-UHFFFAOYSA-N
XLogP1.92
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide (CID 114225520) is 1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide is CCCc1nc(S(N)(=O)=O)cn1CC1CCC(F)(F)C1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide?
The InChIKey is OOHSTEDDULJVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O2S/c1-2-3-10-16-11(20(15,18)19)8-17(10)7-9-4-5-12(13,14)6-9/h8-9H,2-7H2,1H3,(H2,15,18,19).
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide?
1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide has a molecular weight of 307.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]-2-propylimidazole-4-sulfonamide is sourced from PubChem (CID 114225520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).