3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide

C18H20N2O4S2 — CID 4790822

IUPAC3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-14-7-9-15(10-8-14)25-13-18(22)20-19-17(21)11-12-26(23,24)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyKUEKJLYVLOZNNT-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.10
Rot. Bonds7

About 3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide

3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide (PubChem CID 4790822) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
PubChem CID4790822
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-14-7-9-15(10-8-14)25-13-18(22)20-19-17(21)11-12-26(23,24)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyKUEKJLYVLOZNNT-UHFFFAOYSA-N
XLogP2.10
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The IUPAC name of 3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide (CID 4790822) is 3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide.
What is the SMILES notation for 3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The canonical SMILES for 3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide is Cc1ccc(SCC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
The InChIKey is KUEKJLYVLOZNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-14-7-9-15(10-8-14)25-13-18(22)20-19-17(21)11-12-26(23,24)16-5-3-2-4-6-16/h2-10H,11-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide?
3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide has a molecular weight of 392.50 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide is sourced from PubChem (CID 4790822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).