N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide

C13H14N2O4S2 — CID 13419598

IUPACN'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide
SMILESCN(NS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H14N2O4S2/c1-15(21(18,19)13-10-6-3-7-11-13)14-20(16,17)12-8-4-2-5-9-12/h2-11,14H,1H3
InChIKeyFHLQQZWGNQOLEM-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.20
Rot. Bonds5

About N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide

N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide (PubChem CID 13419598) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide
PubChem CID13419598
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC NameN'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide
SMILESCN(NS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H14N2O4S2/c1-15(21(18,19)13-10-6-3-7-11-13)14-20(16,17)12-8-4-2-5-9-12/h2-11,14H,1H3
InChIKeyFHLQQZWGNQOLEM-UHFFFAOYSA-N
XLogP1.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide (CID 13419598) is N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide is CN(NS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide?
The InChIKey is FHLQQZWGNQOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-15(21(18,19)13-10-6-3-7-11-13)14-20(16,17)12-8-4-2-5-9-12/h2-11,14H,1H3.
What are the key properties of N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide?
N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide has a molecular weight of 326.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N'-methylbenzenesulfonohydrazide is sourced from PubChem (CID 13419598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).