2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

C14H20FN3O4S — CID 24554553

IUPAC2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCC(C)CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H20FN3O4S/c1-9(2)8-13(19)16-17-14(20)10(3)18-23(21,22)12-7-5-4-6-11(12)15/h4-7,9-10,18H,8H2,1-3H3,(H,16,19)(H,17,20)/t10-/m0/s1
InChIKeyWKMBRCHBPKJKNU-JTQLQIEISA-N
MW345.40 g/mol
LogP0.69
Rot. Bonds6

About 2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 24554553) has the molecular formula C14H20FN3O4S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID24554553
Molecular FormulaC14H20FN3O4S
Molecular Weight345.40 g/mol
Exact Mass345.12
IUPAC Name2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCC(C)CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H20FN3O4S/c1-9(2)8-13(19)16-17-14(20)10(3)18-23(21,22)12-7-5-4-6-11(12)15/h4-7,9-10,18H,8H2,1-3H3,(H,16,19)(H,17,20)/t10-/m0/s1
InChIKeyWKMBRCHBPKJKNU-JTQLQIEISA-N
XLogP0.69
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.69
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
2-fluoro-N-[(2S)-1-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24553905
N-[(2S)-1-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 55937799
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
2-fluoro-N-[(2S)-1-oxo-1-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 24539255
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 24543911
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270
(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55959790
(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062
cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849356
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387269

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide (CID 24554553) is 2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide is CC(C)CC(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is WKMBRCHBPKJKNU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FN3O4S/c1-9(2)8-13(19)16-17-14(20)10(3)18-23(21,22)12-7-5-4-6-11(12)15/h4-7,9-10,18H,8H2,1-3H3,(H,16,19)(H,17,20)/t10-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 0.69, 6 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-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 24554553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).