1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide

C16H18FNO3S — CID 71997149

IUPAC1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H18FNO3S/c1-21-16(14-7-3-2-4-8-14)11-18-22(19,20)12-13-6-5-9-15(17)10-13/h2-10,16,18H,11-12H2,1H3
InChIKeyMMZGMHNBSMMMMD-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.63
Rot. Bonds7

About 1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide

1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide (PubChem CID 71997149) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide
PubChem CID71997149
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide
SMILESCOC(CNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H18FNO3S/c1-21-16(14-7-3-2-4-8-14)11-18-22(19,20)12-13-6-5-9-15(17)10-13/h2-10,16,18H,11-12H2,1H3
InChIKeyMMZGMHNBSMMMMD-UHFFFAOYSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide (CID 71997149) is 1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide is COC(CNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide?
The InChIKey is MMZGMHNBSMMMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-21-16(14-7-3-2-4-8-14)11-18-22(19,20)12-13-6-5-9-15(17)10-13/h2-10,16,18H,11-12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide?
1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-methoxy-2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 71997149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).