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

C13H14FNO3S — CID 47109896

IUPAC2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccccc2F)o1
InChIInChI=1S/C13H14FNO3S/c1-9-7-8-12(18-9)10(2)15-19(16,17)13-6-4-3-5-11(13)14/h3-8,10,15H,1-2H3
InChIKeyGLPWJZTYTPKUDE-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.77
Rot. Bonds4

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

2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (PubChem CID 47109896) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
PubChem CID47109896
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC Name2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccccc2F)o1
InChIInChI=1S/C13H14FNO3S/c1-9-7-8-12(18-9)10(2)15-19(16,17)13-6-4-3-5-11(13)14/h3-8,10,15H,1-2H3
InChIKeyGLPWJZTYTPKUDE-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

5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106003394
4-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652418
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 47013196
N-but-3-yn-2-yl-2-fluorobenzenesulfonamide
CID 114416427
3,5-dichloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 43025926
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluorobenzenesulfonamide
CID 18141997
5-bromo-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652261
1-bromo-N-[1-(5-methylfuran-2-yl)ethyl]methanesulfonamide
CID 83084663

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide (CID 47109896) is 2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccccc2F)o1.
What is the InChIKey of 2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
The InChIKey is GLPWJZTYTPKUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c1-9-7-8-12(18-9)10(2)15-19(16,17)13-6-4-3-5-11(13)14/h3-8,10,15H,1-2H3.
What are the key properties of 2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide?
2-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 2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 47109896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).