5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide

C13H13ClFNO2S2 — CID 47129119

IUPAC5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCC(c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNO2S2/c1-9(10-3-5-11(15)6-4-10)16(2)20(17,18)13-8-7-12(14)19-13/h3-9H,1-2H3
InChIKeyFBXSISAYERXYFR-UHFFFAOYSA-N
MW333.84 g/mol
LogP3.92
Rot. Bonds4

About 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide

5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 47129119) has the molecular formula C13H13ClFNO2S2 and a molecular weight of 333.84 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
PubChem CID47129119
Molecular FormulaC13H13ClFNO2S2
Molecular Weight333.84 g/mol
Exact Mass333.01
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCC(c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNO2S2/c1-9(10-3-5-11(15)6-4-10)16(2)20(17,18)13-8-7-12(14)19-13/h3-9H,1-2H3
InChIKeyFBXSISAYERXYFR-UHFFFAOYSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide (CID 47129119) is 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide is CC(c1ccc(F)cc1)N(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is FBXSISAYERXYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO2S2/c1-9(10-3-5-11(15)6-4-10)16(2)20(17,18)13-8-7-12(14)19-13/h3-9H,1-2H3.
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 333.84 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 47129119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).