2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide

C18H16FN3O3S — CID 7600170

IUPAC2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide
SMILESCc1cc(NNC(=O)CS(=O)(=O)c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C18H16FN3O3S/c1-12-10-17(20-16-5-3-2-4-15(12)16)21-22-18(23)11-26(24,25)14-8-6-13(19)7-9-14/h2-10H,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyYLQKAGNRFMKZKX-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.60
Rot. Bonds5

About 2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide

2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide (PubChem CID 7600170) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide
PubChem CID7600170
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide
SMILESCc1cc(NNC(=O)CS(=O)(=O)c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C18H16FN3O3S/c1-12-10-17(20-16-5-3-2-4-15(12)16)21-22-18(23)11-26(24,25)14-8-6-13(19)7-9-14/h2-10H,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyYLQKAGNRFMKZKX-UHFFFAOYSA-N
XLogP2.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600108
N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600527
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600565
2-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7254489
N'-(4-methylquinolin-2-yl)-1H-indole-7-carbohydrazide
CID 171982843
N'-(4-bromo-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 43953357
1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide
CID 166378583
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
CID 102436665
2-(4-chlorophenyl)sulfonyl-N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetohydrazide
CID 7600120
N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide
CID 127043320

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide (CID 7600170) is 2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide is Cc1cc(NNC(=O)CS(=O)(=O)c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide?
The InChIKey is YLQKAGNRFMKZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-12-10-17(20-16-5-3-2-4-15(12)16)21-22-18(23)11-26(24,25)14-8-6-13(19)7-9-14/h2-10H,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide?
2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide has a molecular weight of 373.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide is sourced from PubChem (CID 7600170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).