3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide

C13H12F2N2O4S3 — CID 139809238

IUPAC3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide
SMILESCS(=O)(=O)NNS(=O)(=O)c1cccc(Sc2ccc(F)cc2F)c1
InChIInChI=1S/C13H12F2N2O4S3/c1-23(18,19)16-17-24(20,21)11-4-2-3-10(8-11)22-13-6-5-9(14)7-12(13)15/h2-8,16-17H,1H3
InChIKeyWAKBDARCLWTVOF-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.86
Rot. Bonds6

About 3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide

3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide (PubChem CID 139809238) has the molecular formula C13H12F2N2O4S3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide
PubChem CID139809238
Molecular FormulaC13H12F2N2O4S3
Molecular Weight394.45 g/mol
Exact Mass393.99
IUPAC Name3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide
SMILESCS(=O)(=O)NNS(=O)(=O)c1cccc(Sc2ccc(F)cc2F)c1
InChIInChI=1S/C13H12F2N2O4S3/c1-23(18,19)16-17-24(20,21)11-4-2-3-10(8-11)22-13-6-5-9(14)7-12(13)15/h2-8,16-17H,1H3
InChIKeyWAKBDARCLWTVOF-UHFFFAOYSA-N
XLogP1.86
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.86
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

3-amino-4-(2,4-difluorophenyl)sulfanyl-N-methylbenzenesulfonamide
CID 43449360
2-(2,4-difluorophenyl)sulfanyl-5-methylsulfonylaniline
CID 43448248
N-hydroxy-3-(methanesulfonamidosulfamoyl)benzeneamine oxide
CID 21141820
4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10066899
N-[5-(2-bromoacetyl)-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10026012
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496
2-chloro-6-(2,4-difluorophenyl)sulfanylpyridine
CID 60726004
3-(2,4-difluorophenyl)sulfanyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 10430237
(1R)-1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 63814899

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide (CID 139809238) is 3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide is CS(=O)(=O)NNS(=O)(=O)c1cccc(Sc2ccc(F)cc2F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide?
The InChIKey is WAKBDARCLWTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O4S3/c1-23(18,19)16-17-24(20,21)11-4-2-3-10(8-11)22-13-6-5-9(14)7-12(13)15/h2-8,16-17H,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide?
3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide has a molecular weight of 394.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanyl-N'-methylsulfonylbenzenesulfonohydrazide is sourced from PubChem (CID 139809238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).