2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

C12H13FN2O3S — CID 62057282

IUPAC2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C12H13FN2O3S/c1-15(8-9-4-3-7-18-9)19(16,17)11-6-2-5-10(13)12(11)14/h2-7H,8,14H2,1H3
InChIKeyISLZKVPHZVOOIO-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.82
Rot. Bonds4

About 2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide

2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 62057282) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID62057282
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccco1)S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C12H13FN2O3S/c1-15(8-9-4-3-7-18-9)19(16,17)11-6-2-5-10(13)12(11)14/h2-7H,8,14H2,1H3
InChIKeyISLZKVPHZVOOIO-UHFFFAOYSA-N
XLogP1.82
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide (CID 62057282) is 2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is CN(Cc1ccco1)S(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is ISLZKVPHZVOOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-15(8-9-4-3-7-18-9)19(16,17)11-6-2-5-10(13)12(11)14/h2-7H,8,14H2,1H3.
What are the key properties of 2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide?
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 284.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62057282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).