4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide

C12H12F2N2O3S — CID 60985944

IUPAC4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(F)cc(N)cc1F)c1ccco1
InChIInChI=1S/C12H12F2N2O3S/c1-7(11-3-2-4-19-11)16-20(17,18)12-9(13)5-8(15)6-10(12)14/h2-7,16H,15H2,1H3
InChIKeyVVIQNESCXYNXLU-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.18
Rot. Bonds4

About 4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide

4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 60985944) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID60985944
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC Name4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(F)cc(N)cc1F)c1ccco1
InChIInChI=1S/C12H12F2N2O3S/c1-7(11-3-2-4-19-11)16-20(17,18)12-9(13)5-8(15)6-10(12)14/h2-7,16H,15H2,1H3
InChIKeyVVIQNESCXYNXLU-UHFFFAOYSA-N
XLogP2.18
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.18
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

Sulfanilamide, N(sup 4)-furfuryl-
CID 3059601
4-amino-N-(furan-2-ylmethyl)benzene-1-sulfonamide
CID 2056585
N-{4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl}-propionamide
CID 860463
4-[(3-Fluorophenyl)sulfamoyl]furan-2-carboxamide
CID 5307672
3-amino-N-[(furan-2-yl)methyl]benzene-1-sulfonamide
CID 2947746
2-fluoro-N-(furan-2-ylmethyl)benzene-1-sulfonamide
CID 697876
3,4-Difluoro-N-(2-furylmethyl)benzenesulfonamide
CID 2404276
2,4-difluoro-N-(2-furylmethyl)benzenesulfonamide
CID 3496190
4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 240164
3-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 889784
2-amino-N-[(furan-2-yl)methyl]benzene-1-sulfonamide
CID 16788138
N-(furan-2-ylmethyl)-4-nitrobenzenesulfonamide
CID 761017

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide (CID 60985944) is 4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1c(F)cc(N)cc1F)c1ccco1.
What is the InChIKey of 4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is VVIQNESCXYNXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c1-7(11-3-2-4-19-11)16-20(17,18)12-9(13)5-8(15)6-10(12)14/h2-7,16H,15H2,1H3.
What are the key properties of 4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide?
4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 302.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 60985944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).