N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide

C12H11ClFNO2S2 — CID 47319120

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C12H11ClFNO2S2/c13-12-6-3-10(18-12)7-8-15-19(16,17)11-4-1-9(14)2-5-11/h1-6,15H,7-8H2
InChIKeyXWRWWNPOIJNIDW-UHFFFAOYSA-N
MW319.81 g/mol
LogP3.06
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 47319120) has the molecular formula C12H11ClFNO2S2 and a molecular weight of 319.81 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID47319120
Molecular FormulaC12H11ClFNO2S2
Molecular Weight319.81 g/mol
Exact Mass318.99
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C12H11ClFNO2S2/c13-12-6-3-10(18-12)7-8-15-19(16,17)11-4-1-9(14)2-5-11/h1-6,15H,7-8H2
InChIKeyXWRWWNPOIJNIDW-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide (CID 47319120) is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCc1ccc(Cl)s1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is XWRWWNPOIJNIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2S2/c13-12-6-3-10(18-12)7-8-15-19(16,17)11-4-1-9(14)2-5-11/h1-6,15H,7-8H2.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 47319120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).