1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide

C7H12FN3O2S — CID 81339890

IUPAC1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1CCCF
InChIInChI=1S/C7H12FN3O2S/c1-6-10-7(14(9,12)13)5-11(6)4-2-3-8/h5H,2-4H2,1H3,(H2,9,12,13)
InChIKeyZAOUELGKCXFANF-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.20
Rot. Bonds4

About 1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide

1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide (PubChem CID 81339890) has the molecular formula C7H12FN3O2S and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide
PubChem CID81339890
Molecular FormulaC7H12FN3O2S
Molecular Weight221.26 g/mol
Exact Mass221.06
IUPAC Name1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide
SMILESCc1nc(S(N)(=O)=O)cn1CCCF
InChIInChI=1S/C7H12FN3O2S/c1-6-10-7(14(9,12)13)5-11(6)4-2-3-8/h5H,2-4H2,1H3,(H2,9,12,13)
InChIKeyZAOUELGKCXFANF-UHFFFAOYSA-N
XLogP0.20
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.20
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-methylimidazole-4-sulfonamide?
The IUPAC name of 1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide (CID 81339890) is 1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide is Cc1nc(S(N)(=O)=O)cn1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide?
The InChIKey is ZAOUELGKCXFANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O2S/c1-6-10-7(14(9,12)13)5-11(6)4-2-3-8/h5H,2-4H2,1H3,(H2,9,12,13).
What are the key properties of 1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide?
1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide has a molecular weight of 221.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 81339890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).