2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide

C21H19F2NO2S — CID 93147507

IUPAC2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C21H19F2NO2S/c1-15-8-7-9-17(14-15)24(16(2)18-10-3-4-11-19(18)22)27(25,26)21-13-6-5-12-20(21)23/h3-14,16H,1-2H3/t16-/m1/s1
InChIKeyBUEYPHOQZISCCY-MRXNPFEDSA-N
MW387.45 g/mol
LogP5.23
Rot. Bonds5

About 2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide

2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 93147507) has the molecular formula C21H19F2NO2S and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
PubChem CID93147507
Molecular FormulaC21H19F2NO2S
Molecular Weight387.45 g/mol
Exact Mass387.11
IUPAC Name2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C21H19F2NO2S/c1-15-8-7-9-17(14-15)24(16(2)18-10-3-4-11-19(18)22)27(25,26)21-13-6-5-12-20(21)23/h3-14,16H,1-2H3/t16-/m1/s1
InChIKeyBUEYPHOQZISCCY-MRXNPFEDSA-N
XLogP5.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide (CID 93147507) is 2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is BUEYPHOQZISCCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19F2NO2S/c1-15-8-7-9-17(14-15)24(16(2)18-10-3-4-11-19(18)22)27(25,26)21-13-6-5-12-20(21)23/h3-14,16H,1-2H3/t16-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide?
2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 387.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 93147507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).