5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide

C12H12F2N2O3S — CID 61421440

IUPAC5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccoc1)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H12F2N2O3S/c1-16(6-8-2-3-19-7-8)20(17,18)12-5-11(15)9(13)4-10(12)14/h2-5,7H,6,15H2,1H3
InChIKeyNVBUULXPBALFNP-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.96
Rot. Bonds4

About 5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide

5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 61421440) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID61421440
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC Name5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccoc1)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H12F2N2O3S/c1-16(6-8-2-3-19-7-8)20(17,18)12-5-11(15)9(13)4-10(12)14/h2-5,7H,6,15H2,1H3
InChIKeyNVBUULXPBALFNP-UHFFFAOYSA-N
XLogP1.96
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61422118
5-amino-4-bromo-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 114625431
3-fluoro-4-[furan-3-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 79177687
5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563355
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 61125967
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 106996774
2-fluoro-5-[furan-3-ylmethyl(methyl)sulfamoyl]benzenecarbothioamide
CID 63289008
2-amino-N-(furan-3-ylmethyl)-N-methylethanesulfonamide
CID 61456833
5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656575
4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804879
N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide (CID 61421440) is 5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide is CN(Cc1ccoc1)S(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is NVBUULXPBALFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c1-16(6-8-2-3-19-7-8)20(17,18)12-5-11(15)9(13)4-10(12)14/h2-5,7H,6,15H2,1H3.
What are the key properties of 5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide?
5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 302.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 61421440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).