2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide

C17H18FN3O4S — CID 25484811

IUPAC2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H18FN3O4S/c1-12(21-26(24,25)15-10-6-5-9-14(15)18)17(23)20-19-16(22)11-13-7-3-2-4-8-13/h2-10,12,21H,11H2,1H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyALFBYNILCRORGS-GFCCVEGCSA-N
MW379.41 g/mol
LogP0.88
Rot. Bonds6

About 2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide

2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide (PubChem CID 25484811) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide
PubChem CID25484811
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H18FN3O4S/c1-12(21-26(24,25)15-10-6-5-9-14(15)18)17(23)20-19-16(22)11-13-7-3-2-4-8-13/h2-10,12,21H,11H2,1H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyALFBYNILCRORGS-GFCCVEGCSA-N
XLogP0.88
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.88
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-[(2S)-1-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24553905
2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24554553
2-fluoro-N-[(2S)-1-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 24638426
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
N-[(2S)-1-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 55937799
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
(2S)-N-[2-(dimethylamino)-3-phenylpropyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55934836
2-fluoro-N-[(2S)-1-oxo-1-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 24539255
(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 24543911
N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
CID 17394762
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide (CID 25484811) is 2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of 2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide?
The InChIKey is ALFBYNILCRORGS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-12(21-26(24,25)15-10-6-5-9-14(15)18)17(23)20-19-16(22)11-13-7-3-2-4-8-13/h2-10,12,21H,11H2,1H3,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of 2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide?
2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide has a molecular weight of 379.41 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25484811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).