4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

C14H16FNO3S — CID 43047641

IUPAC4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2C)o1
InChIInChI=1S/C14H16FNO3S/c1-9-8-12(15)5-7-14(9)20(17,18)16-11(3)13-6-4-10(2)19-13/h4-8,11,16H,1-3H3
InChIKeyLXKYBTQGBVOKMB-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.08
Rot. Bonds4

About 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 43047641) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID43047641
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2C)o1
InChIInChI=1S/C14H16FNO3S/c1-9-8-12(15)5-7-14(9)20(17,18)16-11(3)13-6-4-10(2)19-13/h4-8,11,16H,1-3H3
InChIKeyLXKYBTQGBVOKMB-UHFFFAOYSA-N
XLogP3.08
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 641766
N-((2,5-dimethylfuran-3-yl)methyl)-4-fluorobenzenesulfonamide
CID 90536163
4-acetyl-N-[(furan-2-yl)methyl]benzene-1-sulfonamide
CID 2414071
2-fluoro-N-(furan-2-ylmethyl)benzene-1-sulfonamide
CID 697876
N-[[5-(2,4-diluorophenyl)uran-2-yl]methyl]benzenesulonamide
CID 2805867
1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanesulfonamide
CID 17741065
N-((2,5-dimethylfuran-3-yl)methyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 56765583
N-methyl-3-[1-[(5-methylfuran-2-yl)methylamino]ethyl]benzenesulfonamide
CID 56824135
1-(2-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 75387246
4-(tert-butyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 977070
4-Methyl-N-[(5-methyl-2-furyl)methyl]benzene-sulfonamide
CID 2755120
N-[1-(furan-2-yl)propyl]-4-methylbenzenesulfonamide
CID 15174179

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 43047641) is 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2C)o1.
What is the InChIKey of 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is LXKYBTQGBVOKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-9-8-12(15)5-7-14(9)20(17,18)16-11(3)13-6-4-10(2)19-13/h4-8,11,16H,1-3H3.
What are the key properties of 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 297.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 43047641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).