4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide

C22H21NO3S — CID 24749451

IUPAC4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-12-14-20(15-13-17)27(25,26)23-16-21(18-8-4-2-5-9-18)22(24)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3/t21-/m0/s1
InChIKeyUITFXKVKDDPRJR-NRFANRHFSA-N
MW379.48 g/mol
LogP3.94
Rot. Bonds7

About 4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide

4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide (PubChem CID 24749451) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide
PubChem CID24749451
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-12-14-20(15-13-17)27(25,26)23-16-21(18-8-4-2-5-9-18)22(24)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3/t21-/m0/s1
InChIKeyUITFXKVKDDPRJR-NRFANRHFSA-N
XLogP3.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide (CID 24749451) is 4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H](C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide?
The InChIKey is UITFXKVKDDPRJR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-17-12-14-20(15-13-17)27(25,26)23-16-21(18-8-4-2-5-9-18)22(24)19-10-6-3-7-11-19/h2-15,21,23H,16H2,1H3/t21-/m0/s1.
What are the key properties of 4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide?
4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-3-oxo-2,3-diphenylpropyl]benzenesulfonamide is sourced from PubChem (CID 24749451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).