1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide

C16H17ClFNO3S — CID 73168441

IUPAC1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C16H17ClFNO3S/c1-22-16(13-5-3-7-15(18)9-13)10-19-23(20,21)11-12-4-2-6-14(17)8-12/h2-9,16,19H,10-11H2,1H3
InChIKeyBNAIVDBFEZQIRL-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.29
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide

1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide (PubChem CID 73168441) has the molecular formula C16H17ClFNO3S and a molecular weight of 357.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
PubChem CID73168441
Molecular FormulaC16H17ClFNO3S
Molecular Weight357.83 g/mol
Exact Mass357.06
IUPAC Name1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C16H17ClFNO3S/c1-22-16(13-5-3-7-15(18)9-13)10-19-23(20,21)11-12-4-2-6-14(17)8-12/h2-9,16,19H,10-11H2,1H3
InChIKeyBNAIVDBFEZQIRL-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide (CID 73168441) is 1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide is COC(CNS(=O)(=O)Cc1cccc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide?
The InChIKey is BNAIVDBFEZQIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO3S/c1-22-16(13-5-3-7-15(18)9-13)10-19-23(20,21)11-12-4-2-6-14(17)8-12/h2-9,16,19H,10-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide has a molecular weight of 357.83 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]methanesulfonamide is sourced from PubChem (CID 73168441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).