N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide

C15H13ClFNO3S — CID 1476386

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide
SMILESO=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO3S/c16-12-3-7-14(8-4-12)22(20,21)10-9-18-15(19)11-1-5-13(17)6-2-11/h1-8H,9-10H2,(H,18,19)
InChIKeyVCDDUMUOPVRAAR-UHFFFAOYSA-N
MW341.79 g/mol
LogP2.68
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide

N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide (PubChem CID 1476386) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide
PubChem CID1476386
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide
SMILESO=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO3S/c16-12-3-7-14(8-4-12)22(20,21)10-9-18-15(19)11-1-5-13(17)6-2-11/h1-8H,9-10H2,(H,18,19)
InChIKeyVCDDUMUOPVRAAR-UHFFFAOYSA-N
XLogP2.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide (CID 1476386) is N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide is O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide?
The InChIKey is VCDDUMUOPVRAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c16-12-3-7-14(8-4-12)22(20,21)10-9-18-15(19)11-1-5-13(17)6-2-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide?
N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide has a molecular weight of 341.79 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]-4-fluorobenzamide is sourced from PubChem (CID 1476386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).