N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide

C11H9ClFNO3S — CID 110732035

IUPACN-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)o1)c1ccc(F)cc1
InChIInChI=1S/C11H9ClFNO3S/c12-11-6-3-9(17-11)7-14-18(15,16)10-4-1-8(13)2-5-10/h1-6,14H,7H2
InChIKeyILJOOEMNRWAGCT-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.55
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide

N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 110732035) has the molecular formula C11H9ClFNO3S and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID110732035
Molecular FormulaC11H9ClFNO3S
Molecular Weight289.72 g/mol
Exact Mass289.00
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)o1)c1ccc(F)cc1
InChIInChI=1S/C11H9ClFNO3S/c12-11-6-3-9(17-11)7-14-18(15,16)10-4-1-8(13)2-5-10/h1-6,14H,7H2
InChIKeyILJOOEMNRWAGCT-UHFFFAOYSA-N
XLogP2.55
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
4-[[5-(4-fluorophenyl)furan-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 30784702
N-[(5-chlorofuran-2-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110732059
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
4-fluoro-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 97180789
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide (CID 110732035) is N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCc1ccc(Cl)o1)c1ccc(F)cc1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is ILJOOEMNRWAGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3S/c12-11-6-3-9(17-11)7-14-18(15,16)10-4-1-8(13)2-5-10/h1-6,14H,7H2.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 289.72 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110732035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).