2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide

C16H18FNO4S2 — CID 42947448

IUPAC2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H18FNO4S2/c1-12(13-8-10-14(11-9-13)23(3,19)20)18(2)24(21,22)16-7-5-4-6-15(16)17/h4-12H,1-3H3
InChIKeyJEUJITVZLKDMGL-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.61
Rot. Bonds5

About 2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide

2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide (PubChem CID 42947448) has the molecular formula C16H18FNO4S2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
PubChem CID42947448
Molecular FormulaC16H18FNO4S2
Molecular Weight371.46 g/mol
Exact Mass371.07
IUPAC Name2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H18FNO4S2/c1-12(13-8-10-14(11-9-13)23(3,19)20)18(2)24(21,22)16-7-5-4-6-15(16)17/h4-12H,1-3H3
InChIKeyJEUJITVZLKDMGL-UHFFFAOYSA-N
XLogP2.61
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide (CID 42947448) is 2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The InChIKey is JEUJITVZLKDMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S2/c1-12(13-8-10-14(11-9-13)23(3,19)20)18(2)24(21,22)16-7-5-4-6-15(16)17/h4-12H,1-3H3.
What are the key properties of 2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42947448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).