4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide

C10H14FN3O3S — CID 135347429

IUPAC4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
SMILESNNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FN3O3S/c11-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(15)14-12/h3-6,13H,1-2,7,12H2,(H,14,15)
InChIKeyLQIAZPZMAPWYQF-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.13
Rot. Bonds6

About 4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide

4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide (PubChem CID 135347429) has the molecular formula C10H14FN3O3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
PubChem CID135347429
Molecular FormulaC10H14FN3O3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
SMILESNNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FN3O3S/c11-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(15)14-12/h3-6,13H,1-2,7,12H2,(H,14,15)
InChIKeyLQIAZPZMAPWYQF-UHFFFAOYSA-N
XLogP-0.13
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
4-[(4-fluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102556
4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide
CID 55558986
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
ethyl 3-[(4-fluorophenyl)sulfonylamino]propanoate
CID 3823010
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24644992
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292
N-[4-(cyanomethyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9260809
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9410697

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide (CID 135347429) is 4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide is NNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide?
The InChIKey is LQIAZPZMAPWYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S/c11-8-3-5-9(6-4-8)18(16,17)13-7-1-2-10(15)14-12/h3-6,13H,1-2,7,12H2,(H,14,15).
What are the key properties of 4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide?
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide has a molecular weight of 275.30 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide is sourced from PubChem (CID 135347429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).