4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide

C20H18ClN3O4S2 — CID 164611898

IUPAC4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/N=C(/CS(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClN3O4S2/c21-16-8-6-15(7-9-16)20(14-29(25,26)18-4-2-1-3-5-18)24-23-17-10-12-19(13-11-17)30(22,27)28/h1-13,23H,14H2,(H2,22,27,28)/b24-20-
InChIKeyKKEICQQVQJROGA-GFMRDNFCSA-N
MW463.97 g/mol
LogP3.28
Rot. Bonds7

About 4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide

4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide (PubChem CID 164611898) has the molecular formula C20H18ClN3O4S2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
PubChem CID164611898
Molecular FormulaC20H18ClN3O4S2
Molecular Weight463.97 g/mol
Exact Mass463.04
IUPAC Name4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/N=C(/CS(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H18ClN3O4S2/c21-16-8-6-15(7-9-16)20(14-29(25,26)18-4-2-1-3-5-18)24-23-17-10-12-19(13-11-17)30(22,27)28/h1-13,23H,14H2,(H2,22,27,28)/b24-20-
InChIKeyKKEICQQVQJROGA-GFMRDNFCSA-N
XLogP3.28
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide (CID 164611898) is 4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(N/N=C(/CS(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is KKEICQQVQJROGA-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H18ClN3O4S2/c21-16-8-6-15(7-9-16)20(14-29(25,26)18-4-2-1-3-5-18)24-23-17-10-12-19(13-11-17)30(22,27)28/h1-13,23H,14H2,(H2,22,27,28)/b24-20-.
What are the key properties of 4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide?
4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 463.97 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[2-(benzenesulfonyl)-1-(4-chlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 164611898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).