3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide

C17H17ClFNO3S — CID 4143060

IUPAC3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C17H17ClFNO3S/c18-16-4-2-1-3-14(16)12-24(22,23)10-9-17(21)20-11-13-5-7-15(19)8-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyYTZGGOZXGPJGJC-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.10
Rot. Bonds7

About 3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide

3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 4143060) has the molecular formula C17H17ClFNO3S and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID4143060
Molecular FormulaC17H17ClFNO3S
Molecular Weight369.85 g/mol
Exact Mass369.06
IUPAC Name3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C17H17ClFNO3S/c18-16-4-2-1-3-14(16)12-24(22,23)10-9-17(21)20-11-13-5-7-15(19)8-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyYTZGGOZXGPJGJC-UHFFFAOYSA-N
XLogP3.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide (CID 4143060) is 3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCS(=O)(=O)Cc1ccccc1Cl)NCc1ccc(F)cc1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is YTZGGOZXGPJGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3S/c18-16-4-2-1-3-14(16)12-24(22,23)10-9-17(21)20-11-13-5-7-15(19)8-6-13/h1-8H,9-12H2,(H,20,21).
What are the key properties of 3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 369.85 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfonyl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 4143060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).