N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide

C9H10ClFN2O3S — CID 8505477

IUPACN'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFN2O3S/c1-2-9(14)12-13-17(15,16)6-3-4-8(11)7(10)5-6/h3-5,13H,2H2,1H3,(H,12,14)
InChIKeyHLDNPLRXNFTLOD-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.20
Rot. Bonds4

About N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide

N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide (PubChem CID 8505477) has the molecular formula C9H10ClFN2O3S and a molecular weight of 280.71 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
PubChem CID8505477
Molecular FormulaC9H10ClFN2O3S
Molecular Weight280.71 g/mol
Exact Mass280.01
IUPAC NameN'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFN2O3S/c1-2-9(14)12-13-17(15,16)6-3-4-8(11)7(10)5-6/h3-5,13H,2H2,1H3,(H,12,14)
InChIKeyHLDNPLRXNFTLOD-UHFFFAOYSA-N
XLogP1.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.20
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

2-(1-adamantyl)-N'-(3-chloro-4-fluorophenyl)sulfonylacetohydrazide
CID 8616511
N'-(3-chloro-4-fluorophenyl)sulfonyl-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 8844257
N'-(3,4-difluorophenyl)sulfonylacetohydrazide
CID 8500703
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
CID 697756
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949623
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 107847991
N'-(2,3-dichlorophenyl)sulfonylpropanehydrazide
CID 8505483
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide (CID 8505477) is N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide is CCC(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide?
The InChIKey is HLDNPLRXNFTLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O3S/c1-2-9(14)12-13-17(15,16)6-3-4-8(11)7(10)5-6/h3-5,13H,2H2,1H3,(H,12,14).
What are the key properties of N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide?
N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide has a molecular weight of 280.71 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 8505477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).