N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide

C28H24FNO3S — CID 135064335

IUPACN-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24FNO3S/c1-20-12-18-25(19-13-20)34(32,33)30-27(22-14-16-24(29)17-15-22)26(21-8-4-2-5-9-21)28(31)23-10-6-3-7-11-23/h2-19,26-27,30H,1H3/t26-,27+/m0/s1
InChIKeyHDYXGPNWLSXBPI-RRPNLBNLSA-N
MW473.57 g/mol
LogP5.82
Rot. Bonds8

About N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide

N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide (PubChem CID 135064335) has the molecular formula C28H24FNO3S and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide
PubChem CID135064335
Molecular FormulaC28H24FNO3S
Molecular Weight473.57 g/mol
Exact Mass473.15
IUPAC NameN-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24FNO3S/c1-20-12-18-25(19-13-20)34(32,33)30-27(22-14-16-24(29)17-15-22)26(21-8-4-2-5-9-21)28(31)23-10-6-3-7-11-23/h2-19,26-27,30H,1H3/t26-,27+/m0/s1
InChIKeyHDYXGPNWLSXBPI-RRPNLBNLSA-N
XLogP5.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-3-(4-methoxyphenyl)-3-oxo-1,2-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135056806
N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 102280789
N-[3-[2-[ditert-butyl(fluoro)-λ4-sulfanyl]oxyphenyl]-3-oxo-1,2-diphenylpropyl]-4-methylbenzenesulfonamide
CID 71739231
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(1S,2R)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide;N-[(1R,2S)-2-(benzhydrylideneamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 139042258
S-phenyl (2S,3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-2-phenylpropanethioate
CID 135064734
N-[2-benzoyl-5-(4-fluorophenyl)-5-oxo-3-phenylpentyl]-4-methylbenzenesulfonamide
CID 162349367
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
[1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium
CID 10788532
4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 26544292

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide (CID 135064335) is N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide?
The InChIKey is HDYXGPNWLSXBPI-RRPNLBNLSA-N. The full InChI is InChI=1S/C28H24FNO3S/c1-20-12-18-25(19-13-20)34(32,33)30-27(22-14-16-24(29)17-15-22)26(21-8-4-2-5-9-21)28(31)23-10-6-3-7-11-23/h2-19,26-27,30H,1H3/t26-,27+/m0/s1.
What are the key properties of N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide?
N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide has a molecular weight of 473.57 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135064335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).