N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide

C10H13FN2O3S — CID 17394762

IUPACN'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H13FN2O3S/c1-7(2)10(14)12-13-17(15,16)9-6-4-3-5-8(9)11/h3-7,13H,1-2H3,(H,12,14)
InChIKeyHLTDNFCYRCIQGX-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.79
Rot. Bonds4

About N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide

N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide (PubChem CID 17394762) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
PubChem CID17394762
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC NameN'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H13FN2O3S/c1-7(2)10(14)12-13-17(15,16)9-6-4-3-5-8(9)11/h3-7,13H,1-2H3,(H,12,14)
InChIKeyHLTDNFCYRCIQGX-UHFFFAOYSA-N
XLogP0.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-fluoro-N-[(2R)-1-oxo-1-[2-(2-phenylacetyl)hydrazinyl]propan-2-yl]benzenesulfonamide
CID 25484811
3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155532167
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 113415917
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
CID 135298667
2-fluoro-N-[(2S)-1-[2-(3-methylbutanoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 24554553
N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
CID 97325999
N-[(1S,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
CID 97326001
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide (CID 17394762) is N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide is CC(C)C(=O)NNS(=O)(=O)c1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide?
The InChIKey is HLTDNFCYRCIQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-7(2)10(14)12-13-17(15,16)9-6-4-3-5-8(9)11/h3-7,13H,1-2H3,(H,12,14).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide?
N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide has a molecular weight of 260.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide is sourced from PubChem (CID 17394762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).