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

C12H13FN2O3S — CID 55081883

IUPAC5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(N)ccc2F)o1
InChIInChI=1S/C12H13FN2O3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(14)3-5-11(12)13/h2-6,15H,7,14H2,1H3
InChIKeyTUTWUHHZEDIBPU-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.79
Rot. Bonds4

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

5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 55081883) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID55081883
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(N)ccc2F)o1
InChIInChI=1S/C12H13FN2O3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(14)3-5-11(12)13/h2-6,15H,7,14H2,1H3
InChIKeyTUTWUHHZEDIBPU-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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Related Compounds

2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
5-amino-3-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62525023
2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081929
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
3-methyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 106998104
5-amino-2-fluoro-N-[(3-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 63305909
5-amino-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61282243
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 55081883) is 5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(N)ccc2F)o1.
What is the InChIKey of 5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is TUTWUHHZEDIBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(14)3-5-11(12)13/h2-6,15H,7,14H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
5-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 5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 55081883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).