4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide

C16H15ClFNO3S — CID 2742083

IUPAC4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNO3S/c17-14-5-3-13(4-6-14)16(20)19-9-10-23(21,22)11-12-1-7-15(18)8-2-12/h1-8H,9-11H2,(H,19,20)
InChIKeyGJUCEDZPDMLOEQ-UHFFFAOYSA-N
MW355.82 g/mol
LogP2.82
Rot. Bonds6

About 4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide

4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide (PubChem CID 2742083) has the molecular formula C16H15ClFNO3S and a molecular weight of 355.82 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide
PubChem CID2742083
Molecular FormulaC16H15ClFNO3S
Molecular Weight355.82 g/mol
Exact Mass355.04
IUPAC Name4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFNO3S/c17-14-5-3-13(4-6-14)16(20)19-9-10-23(21,22)11-12-1-7-15(18)8-2-12/h1-8H,9-11H2,(H,19,20)
InChIKeyGJUCEDZPDMLOEQ-UHFFFAOYSA-N
XLogP2.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide (CID 2742083) is 4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide is O=C(NCCS(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide?
The InChIKey is GJUCEDZPDMLOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO3S/c17-14-5-3-13(4-6-14)16(20)19-9-10-23(21,22)11-12-1-7-15(18)8-2-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of 4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide?
4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide has a molecular weight of 355.82 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]benzamide is sourced from PubChem (CID 2742083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).