N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide

C17H18FN3O4S — CID 71696139

IUPACN-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O4S/c1-12-2-8-15(9-3-12)26(24,25)19-11-17(23)21-20-16(22)10-13-4-6-14(18)7-5-13/h2-9,19H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyBUNPHYXRLQMBLN-UHFFFAOYSA-N
MW379.41 g/mol
LogP0.80
Rot. Bonds6

About N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide

N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide (PubChem CID 71696139) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
PubChem CID71696139
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O4S/c1-12-2-8-15(9-3-12)26(24,25)19-11-17(23)21-20-16(22)10-13-4-6-14(18)7-5-13/h2-9,19H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyBUNPHYXRLQMBLN-UHFFFAOYSA-N
XLogP0.80
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.80
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-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 17192146
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 893384
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495477
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580
N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 112997342
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
2-[(4-acetamidophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992301
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 9339566
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide (CID 71696139) is N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide?
The InChIKey is BUNPHYXRLQMBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-12-2-8-15(9-3-12)26(24,25)19-11-17(23)21-20-16(22)10-13-4-6-14(18)7-5-13/h2-9,19H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide?
N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide has a molecular weight of 379.41 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71696139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).