N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide

C15H13ClFN3O4S — CID 9339566

IUPACN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClFN3O4S/c16-13-4-2-1-3-12(13)15(22)20-19-14(21)9-18-25(23,24)11-7-5-10(17)6-8-11/h1-8,18H,9H2,(H,19,21)(H,20,22)
InChIKeyWGKDAHBWRBKGIF-UHFFFAOYSA-N
MW385.80 g/mol
LogP1.22
Rot. Bonds5

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

N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide (PubChem CID 9339566) has the molecular formula C15H13ClFN3O4S and a molecular weight of 385.80 g/mol. Its IUPAC name is N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
PubChem CID9339566
Molecular FormulaC15H13ClFN3O4S
Molecular Weight385.80 g/mol
Exact Mass385.03
IUPAC NameN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClFN3O4S/c16-13-4-2-1-3-12(13)15(22)20-19-14(21)9-18-25(23,24)11-7-5-10(17)6-8-11/h1-8,18H,9H2,(H,19,21)(H,20,22)
InChIKeyWGKDAHBWRBKGIF-UHFFFAOYSA-N
XLogP1.22
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 51.22
H-Bond Donors ≤ 53
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]-4-fluoro-N-methylbenzenesulfonamide
CID 9339527
4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide
CID 9220784
N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 71696139
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 772291
N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide
CID 167626658
N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 18158719
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 35929184
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763
N-[2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 9400374
2-chloro-N'-[2-(2,6-dichlorophenyl)acetyl]benzohydrazide
CID 35929309

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide (CID 9339566) is N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The InChIKey is WGKDAHBWRBKGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O4S/c16-13-4-2-1-3-12(13)15(22)20-19-14(21)9-18-25(23,24)11-7-5-10(17)6-8-11/h1-8,18H,9H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide has a molecular weight of 385.80 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 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-fluorobenzenesulfonamide is sourced from PubChem (CID 9339566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).