4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C12H13FN2O3S — CID 55081212

IUPAC4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(N)cc2F)o1
InChIInChI=1S/C12H13FN2O3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-5-3-9(14)6-11(12)13/h2-6,15H,7,14H2,1H3
InChIKeyOHVMSTUSRDXWPK-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.79
Rot. Bonds4

About 4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 55081212) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID55081212
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(N)cc2F)o1
InChIInChI=1S/C12H13FN2O3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-5-3-9(14)6-11(12)13/h2-6,15H,7,14H2,1H3
InChIKeyOHVMSTUSRDXWPK-UHFFFAOYSA-N
XLogP1.79
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 55081212) is 4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(N)cc2F)o1.
What is the InChIKey of 4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is OHVMSTUSRDXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-5-3-9(14)6-11(12)13/h2-6,15H,7,14H2,1H3.
What are the key properties of 4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 284.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 55081212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).