N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide

C15H14Cl2N2O4S — CID 8617286

IUPACN'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O4S/c1-2-23-13-5-3-10(4-6-13)15(20)18-19-24(21,22)14-8-11(16)7-12(17)9-14/h3-9,19H,2H2,1H3,(H,18,20)
InChIKeyPNPQHHZWGJDRHX-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.02
Rot. Bonds6

About N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide

N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide (PubChem CID 8617286) has the molecular formula C15H14Cl2N2O4S and a molecular weight of 389.26 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
PubChem CID8617286
Molecular FormulaC15H14Cl2N2O4S
Molecular Weight389.26 g/mol
Exact Mass388.01
IUPAC NameN'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O4S/c1-2-23-13-5-3-10(4-6-13)15(20)18-19-24(21,22)14-8-11(16)7-12(17)9-14/h3-9,19H,2H2,1H3,(H,18,20)
InChIKeyPNPQHHZWGJDRHX-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-ethoxybenzohydrazide
CID 8617321
2-chloro-5-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9480366
5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466
4-ethoxy-N-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9492767
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
CID 9270566
methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
CID 8501036

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide?
The IUPAC name of N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide (CID 8617286) is N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide?
The canonical SMILES for N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide?
The InChIKey is PNPQHHZWGJDRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4S/c1-2-23-13-5-3-10(4-6-13)15(20)18-19-24(21,22)14-8-11(16)7-12(17)9-14/h3-9,19H,2H2,1H3,(H,18,20).
What are the key properties of N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide?
N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide has a molecular weight of 389.26 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide is sourced from PubChem (CID 8617286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).