N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide

C12H13FN2O4S — CID 106000437

IUPACN-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)Nc2ccncc2F)c1CO
InChIInChI=1S/C12H13FN2O4S/c1-7-9(6-16)12(8(2)19-7)20(17,18)15-11-3-4-14-5-10(11)13/h3-5,16H,6H2,1-2H3,(H,14,15)
InChIKeySJDPQVCQOFMFFF-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.72
Rot. Bonds4

About N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide

N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide (PubChem CID 106000437) has the molecular formula C12H13FN2O4S and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
PubChem CID106000437
Molecular FormulaC12H13FN2O4S
Molecular Weight300.31 g/mol
Exact Mass300.06
IUPAC NameN-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
SMILESCc1oc(C)c(S(=O)(=O)Nc2ccncc2F)c1CO
InChIInChI=1S/C12H13FN2O4S/c1-7-9(6-16)12(8(2)19-7)20(17,18)15-11-3-4-14-5-10(11)13/h3-5,16H,6H2,1-2H3,(H,14,15)
InChIKeySJDPQVCQOFMFFF-UHFFFAOYSA-N
XLogP1.72
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide (CID 106000437) is N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide is Cc1oc(C)c(S(=O)(=O)Nc2ccncc2F)c1CO.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
The InChIKey is SJDPQVCQOFMFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4S/c1-7-9(6-16)12(8(2)19-7)20(17,18)15-11-3-4-14-5-10(11)13/h3-5,16H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide?
N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 106000437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).