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

C13H14FNO3S — CID 60652418

IUPAC4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C13H14FNO3S/c1-9-3-8-13(18-9)10(2)15-19(16,17)12-6-4-11(14)5-7-12/h3-8,10,15H,1-2H3
InChIKeyNDTVEEJGRKDOLH-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.77
Rot. Bonds4

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

4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 60652418) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID60652418
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC Name4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C13H14FNO3S/c1-9-3-8-13(18-9)10(2)15-19(16,17)12-6-4-11(14)5-7-12/h3-8,10,15H,1-2H3
InChIKeyNDTVEEJGRKDOLH-UHFFFAOYSA-N
XLogP2.77
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
3-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106611673
2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 47109896
3-bromo-4-methoxy-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 30964155
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 51169578
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723976
1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide
CID 83084663
5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106003394
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 60652418) is 4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NDTVEEJGRKDOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c1-9-3-8-13(18-9)10(2)15-19(16,17)12-6-4-11(14)5-7-12/h3-8,10,15H,1-2H3.
What are the key properties of 4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide has a molecular weight of 283.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 60652418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).