N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide

C16H15ClFN3O4S — CID 9339527

IUPACN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC(=O)NNC(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFN3O4S/c1-21(26(24,25)12-8-6-11(18)7-9-12)10-15(22)19-20-16(23)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyAKUNVSHMIHVFIX-UHFFFAOYSA-N
MW399.83 g/mol
LogP1.56
Rot. Bonds5

About N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide

N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 9339527) has the molecular formula C16H15ClFN3O4S and a molecular weight of 399.83 g/mol. Its IUPAC name is N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID9339527
Molecular FormulaC16H15ClFN3O4S
Molecular Weight399.83 g/mol
Exact Mass399.05
IUPAC NameN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC(=O)NNC(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFN3O4S/c1-21(26(24,25)12-8-6-11(18)7-9-12)10-15(22)19-20-16(23)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyAKUNVSHMIHVFIX-UHFFFAOYSA-N
XLogP1.56
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 32925814
N-(4-chlorophenyl)-2-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
CID 55466552
4-fluoro-N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 9476624
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 9339566
N-(2-benzoyl-4-chlorophenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45372617
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
(2,6-dichlorophenyl)methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848916
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26066021
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55791699
N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
CID 22109787

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide (CID 9339527) is N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide is CN(CC(=O)NNC(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is AKUNVSHMIHVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O4S/c1-21(26(24,25)12-8-6-11(18)7-9-12)10-15(22)19-20-16(23)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 399.83 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 9339527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).