N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide

C16H18N2O4S2 — CID 7478638

IUPACN'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-2-22-13-8-10-15(11-9-13)24(20,21)18-17-16(19)12-23-14-6-4-3-5-7-14/h3-11,18H,2,12H2,1H3,(H,17,19)
InChIKeyMWJVZGSPURDAMX-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.19
Rot. Bonds8

About N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide

N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide (PubChem CID 7478638) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide
PubChem CID7478638
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-2-22-13-8-10-15(11-9-13)24(20,21)18-17-16(19)12-23-14-6-4-3-5-7-14/h3-11,18H,2,12H2,1H3,(H,17,19)
InChIKeyMWJVZGSPURDAMX-UHFFFAOYSA-N
XLogP2.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.19
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

2-(3,4-dimethylphenyl)sulfanyl-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9243979
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
N-[2-[2-(4-ethoxyphenyl)sulfonylhydrazinyl]-2-oxoethyl]benzamide
CID 9244251
2-(1,3-dioxoisoindol-2-yl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9244319
N'-(4-ethoxyphenyl)sulfonyl-2-(2-methoxyphenyl)acetohydrazide
CID 7974521
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 7478651
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
N'-(4-ethoxyphenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 7940958
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide?
The IUPAC name of N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide (CID 7478638) is N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide.
What is the SMILES notation for N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide?
The canonical SMILES for N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)CSc2ccccc2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide?
The InChIKey is MWJVZGSPURDAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-2-22-13-8-10-15(11-9-13)24(20,21)18-17-16(19)12-23-14-6-4-3-5-7-14/h3-11,18H,2,12H2,1H3,(H,17,19).
What are the key properties of N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide?
N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide has a molecular weight of 366.46 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide is sourced from PubChem (CID 7478638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).