1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide

C9H16FN3O2S — CID 81340771

IUPAC1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CCCF
InChIInChI=1S/C9H16FN3O2S/c1-7(2)9-12-8(16(11,14)15)6-13(9)5-3-4-10/h6-7H,3-5H2,1-2H3,(H2,11,14,15)
InChIKeySKJKWFXJGPCXRD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.01
Rot. Bonds5

About 1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide

1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81340771) has the molecular formula C9H16FN3O2S and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81340771
Molecular FormulaC9H16FN3O2S
Molecular Weight249.31 g/mol
Exact Mass249.09
IUPAC Name1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1CCCF
InChIInChI=1S/C9H16FN3O2S/c1-7(2)9-12-8(16(11,14)15)6-13(9)5-3-4-10/h6-7H,3-5H2,1-2H3,(H2,11,14,15)
InChIKeySKJKWFXJGPCXRD-UHFFFAOYSA-N
XLogP1.01
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide (CID 81340771) is 1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(N)(=O)=O)cn1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is SKJKWFXJGPCXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3O2S/c1-7(2)9-12-8(16(11,14)15)6-13(9)5-3-4-10/h6-7H,3-5H2,1-2H3,(H2,11,14,15).
What are the key properties of 1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide?
1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 249.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81340771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).