3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide

C11H14ClFN2OS — CID 79405680

IUPAC3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide
SMILESCC(Sc1ccc(F)c(Cl)c1)C(C)C(=O)NN
InChIInChI=1S/C11H14ClFN2OS/c1-6(11(16)15-14)7(2)17-8-3-4-10(13)9(12)5-8/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyLSKDVJXOXRCIIO-UHFFFAOYSA-N
MW276.76 g/mol
LogP2.59
Rot. Bonds4

About 3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide

3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide (PubChem CID 79405680) has the molecular formula C11H14ClFN2OS and a molecular weight of 276.76 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide
PubChem CID79405680
Molecular FormulaC11H14ClFN2OS
Molecular Weight276.76 g/mol
Exact Mass276.05
IUPAC Name3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide
SMILESCC(Sc1ccc(F)c(Cl)c1)C(C)C(=O)NN
InChIInChI=1S/C11H14ClFN2OS/c1-6(11(16)15-14)7(2)17-8-3-4-10(13)9(12)5-8/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyLSKDVJXOXRCIIO-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258
3-(2-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405140
2-chloro-1-fluoro-4-propan-2-ylsulfanylbenzene
CID 126991034
tert-butyl 2-(3-chloro-4-fluorophenyl)sulfanylpropanoate
CID 64688114
methyl 3-(4-chlorophenyl)sulfanyl-2-methylbutanoate
CID 79392425
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 8859309
3-(2-hydroxyphenyl)sulfanyl-2-methylbutanehydrazide
CID 79404719
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 18275938
5-[1-(3-chloro-4-fluorophenyl)sulfanylethyl]furan-2-carboxylic acid
CID 78979671
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 43026503

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide (CID 79405680) is 3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide is CC(Sc1ccc(F)c(Cl)c1)C(C)C(=O)NN.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide?
The InChIKey is LSKDVJXOXRCIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2OS/c1-6(11(16)15-14)7(2)17-8-3-4-10(13)9(12)5-8/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide?
3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide has a molecular weight of 276.76 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide is sourced from PubChem (CID 79405680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).