N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide

C10H13FN2O3S — CID 107326948

IUPACN'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C10H13FN2O3S/c1-6-4-9(11)5-7(2)10(6)17(15,16)13-12-8(3)14/h4-5,13H,1-3H3,(H,12,14)
InChIKeyFAUPHPKNJAYQMQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.77
Rot. Bonds3

About N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide

N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide (PubChem CID 107326948) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide
PubChem CID107326948
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC NameN'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C10H13FN2O3S/c1-6-4-9(11)5-7(2)10(6)17(15,16)13-12-8(3)14/h4-5,13H,1-3H3,(H,12,14)
InChIKeyFAUPHPKNJAYQMQ-UHFFFAOYSA-N
XLogP0.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.77
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

N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 107326444
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327684
N'-(3,4-difluorophenyl)sulfonylacetohydrazide
CID 8500703
(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanoic acid
CID 107326445
4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107326957
N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327346
ethyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 107327014

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide (CID 107326948) is N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide is CC(=O)NNS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide?
The InChIKey is FAUPHPKNJAYQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-6-4-9(11)5-7(2)10(6)17(15,16)13-12-8(3)14/h4-5,13H,1-3H3,(H,12,14).
What are the key properties of N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide?
N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide has a molecular weight of 260.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 107326948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).