N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide

C22H17FN2O3S — CID 51060017

IUPACN-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2F)c2ccccc2C#N)cc1
InChIInChI=1S/C22H17FN2O3S/c1-16-10-12-18(13-11-16)29(27,28)25(21-9-5-2-6-17(21)14-24)15-22(26)19-7-3-4-8-20(19)23/h2-13H,15H2,1H3
InChIKeyTUTAMGTZGQUMGN-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.08
Rot. Bonds6

About N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide

N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide (PubChem CID 51060017) has the molecular formula C22H17FN2O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide
PubChem CID51060017
Molecular FormulaC22H17FN2O3S
Molecular Weight408.45 g/mol
Exact Mass408.09
IUPAC NameN-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2F)c2ccccc2C#N)cc1
InChIInChI=1S/C22H17FN2O3S/c1-16-10-12-18(13-11-16)29(27,28)25(21-9-5-2-6-17(21)14-24)15-22(26)19-7-3-4-8-20(19)23/h2-13H,15H2,1H3
InChIKeyTUTAMGTZGQUMGN-UHFFFAOYSA-N
XLogP4.08
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide (CID 51060017) is N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2F)c2ccccc2C#N)cc1.
What is the InChIKey of N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide?
The InChIKey is TUTAMGTZGQUMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S/c1-16-10-12-18(13-11-16)29(27,28)25(21-9-5-2-6-17(21)14-24)15-22(26)19-7-3-4-8-20(19)23/h2-13H,15H2,1H3.
What are the key properties of N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide?
N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide has a molecular weight of 408.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 51060017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).