2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide

C23H21F2N3O4S — CID 24638426

IUPAC2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H21F2N3O4S/c24-18-12-10-17(11-13-18)15-22(29)26-27-23(30)20(14-16-6-2-1-3-7-16)28-33(31,32)21-9-5-4-8-19(21)25/h1-13,20,28H,14-15H2,(H,26,29)(H,27,30)/t20-/m0/s1
InChIKeyDMLKYJXZXVQAES-FQEVSTJZSA-N
MW473.50 g/mol
LogP2.24
Rot. Bonds8

About 2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide

2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 24638426) has the molecular formula C23H21F2N3O4S and a molecular weight of 473.50 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
PubChem CID24638426
Molecular FormulaC23H21F2N3O4S
Molecular Weight473.50 g/mol
Exact Mass473.12
IUPAC Name2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C23H21F2N3O4S/c24-18-12-10-17(11-13-18)15-22(29)26-27-23(30)20(14-16-6-2-1-3-7-16)28-33(31,32)21-9-5-4-8-19(21)25/h1-13,20,28H,14-15H2,(H,26,29)(H,27,30)/t20-/m0/s1
InChIKeyDMLKYJXZXVQAES-FQEVSTJZSA-N
XLogP2.24
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 25484811
N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide
CID 30532106
(2S)-N-[4-(4-fluorophenoxy)butyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55935368
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55971747
2-fluoro-N-[(2S)-1-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24553905
(2S)-N-(2-chlorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55937511
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 74291958
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(methylamino)propyl]-3-phenylpropanamide;hydrochloride
CID 120827986
2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenylpropanamide
CID 24643173
(2-amino-2-oxoethyl) (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 2540770
N-(3-amino-2-methylpropyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide;hydrochloride
CID 119997361

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide (CID 24638426) is 2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide is O=C(Cc1ccc(F)cc1)NNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is DMLKYJXZXVQAES-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H21F2N3O4S/c24-18-12-10-17(11-13-18)15-22(29)26-27-23(30)20(14-16-6-2-1-3-7-16)28-33(31,32)21-9-5-4-8-19(21)25/h1-13,20,28H,14-15H2,(H,26,29)(H,27,30)/t20-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide?
2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 473.50 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 24638426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).