N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide

C19H22FN3O4S2 — CID 24641233

IUPACN-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CSc2ccccc2F)c1
InChIInChI=1S/C19H22FN3O4S2/c1-13-7-8-14(2)17(11-13)29(26,27)21-10-9-18(24)22-23-19(25)12-28-16-6-4-3-5-15(16)20/h3-8,11,21H,9-10,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPSPCWNQDXJZFJE-UHFFFAOYSA-N
MW439.53 g/mol
LogP2.05
Rot. Bonds8

About N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide

N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 24641233) has the molecular formula C19H22FN3O4S2 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
PubChem CID24641233
Molecular FormulaC19H22FN3O4S2
Molecular Weight439.53 g/mol
Exact Mass439.10
IUPAC NameN-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CSc2ccccc2F)c1
InChIInChI=1S/C19H22FN3O4S2/c1-13-7-8-14(2)17(11-13)29(26,27)21-10-9-18(24)22-23-19(25)12-28-16-6-4-3-5-15(16)20/h3-8,11,21H,9-10,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPSPCWNQDXJZFJE-UHFFFAOYSA-N
XLogP2.05
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)propanamide
CID 78768108
5-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 9091346
N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 24634429
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
N-[3-[2-[2-fluoro-5-(trifluoromethyl)phenyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 166182254
(2R)-2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethylamino]-2-phenylacetamide
CID 35644810
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
CID 7969751
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 24641284
N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55734058
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 24641294

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide (CID 24641233) is N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)CSc2ccccc2F)c1.
What is the InChIKey of N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is PSPCWNQDXJZFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S2/c1-13-7-8-14(2)17(11-13)29(26,27)21-10-9-18(24)22-23-19(25)12-28-16-6-4-3-5-15(16)20/h3-8,11,21H,9-10,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide?
N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 439.53 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 24641233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).