1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide

C16H16FN3O3S — CID 71797345

IUPAC1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2cccc(F)c2)cc1-c1ccco1
InChIInChI=1S/C16H16FN3O3S/c1-20-15(16-6-3-7-23-16)9-14(19-20)10-18-24(21,22)11-12-4-2-5-13(17)8-12/h2-9,18H,10-11H2,1H3
InChIKeyIQWJMLKROBYNKG-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.44
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide

1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide (PubChem CID 71797345) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide
PubChem CID71797345
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2cccc(F)c2)cc1-c1ccco1
InChIInChI=1S/C16H16FN3O3S/c1-20-15(16-6-3-7-23-16)9-14(19-20)10-18-24(21,22)11-12-4-2-5-13(17)8-12/h2-9,18H,10-11H2,1H3
InChIKeyIQWJMLKROBYNKG-UHFFFAOYSA-N
XLogP2.44
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide (CID 71797345) is 1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide is Cn1nc(CNS(=O)(=O)Cc2cccc(F)c2)cc1-c1ccco1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide?
The InChIKey is IQWJMLKROBYNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-20-15(16-6-3-7-23-16)9-14(19-20)10-18-24(21,22)11-12-4-2-5-13(17)8-12/h2-9,18H,10-11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide has a molecular weight of 349.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 71797345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).