N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide

C13H13ClN2O5S3 — CID 2820374

IUPACN'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1scc(S(=O)(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C13H13ClN2O5S3/c1-8-12(23(18,19)11-5-3-10(14)4-6-11)7-22-13(8)24(20,21)16-15-9(2)17/h3-7,16H,1-2H3,(H,15,17)
InChIKeyVIEQAUWOUPFGMC-UHFFFAOYSA-N
MW408.91 g/mol
LogP1.87
Rot. Bonds5

About N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide

N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide (PubChem CID 2820374) has the molecular formula C13H13ClN2O5S3 and a molecular weight of 408.91 g/mol. Its IUPAC name is N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide
PubChem CID2820374
Molecular FormulaC13H13ClN2O5S3
Molecular Weight408.91 g/mol
Exact Mass407.97
IUPAC NameN'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide
SMILESCC(=O)NNS(=O)(=O)c1scc(S(=O)(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C13H13ClN2O5S3/c1-8-12(23(18,19)11-5-3-10(14)4-6-11)7-22-13(8)24(20,21)16-15-9(2)17/h3-7,16H,1-2H3,(H,15,17)
InChIKeyVIEQAUWOUPFGMC-UHFFFAOYSA-N
XLogP1.87
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 10181593
2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 2819949
2-(4-chlorobenzene-1-sulfonyl)-N'-(4-fluorobenzene-1-sulfonyl)acetohydrazide
CID 146673639
2-(4-fluorobenzene-1-sulfonyl)-N'-(4-chlorobenzene-1-sulfonyl)acetohydrazide
CID 146673640
4-Chlorophenylsulfonylethenesulfonylacetic acid hydrazide
CID 138377017
2-(4-chlorobenzene-1-sulfonyl)-N'-(propane-1-sulfonyl)acetohydrazide
CID 146673602
2-(4-chlorobenzene-1-sulfonyl)-N'-(butane-1-sulfonyl)acetohydrazide
CID 146673616
2-(4-chlorobenzene-1-sulfonyl)-N'-(benzene-1-sulfonyl)acetohydrazide
CID 146673628
2-(4-chlorobenzene-1-sulfonyl)-N'-(4-methylbenzene-1-sulfonyl)acetohydrazide
CID 146673637
2-(4-methylbenzene-1-sulfonyl)-N'-(4-chlorobenzene-1-sulfonyl)acetohydrazide
CID 146673638
2-(4-chlorobenzene-1-sulfonyl)-N'-(4-chlorobenzene-1-sulfonyl)acetohydrazide
CID 146673644
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 8482096

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide?
The IUPAC name of N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide (CID 2820374) is N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide.
What is the SMILES notation for N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide?
The canonical SMILES for N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide is CC(=O)NNS(=O)(=O)c1scc(S(=O)(=O)c2ccc(Cl)cc2)c1C.
What is the InChIKey of N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide?
The InChIKey is VIEQAUWOUPFGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O5S3/c1-8-12(23(18,19)11-5-3-10(14)4-6-11)7-22-13(8)24(20,21)16-15-9(2)17/h3-7,16H,1-2H3,(H,15,17).
What are the key properties of N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide?
N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide has a molecular weight of 408.91 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide is sourced from PubChem (CID 2820374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).