3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

C14H11Cl4N3O3S — CID 50892625

IUPAC3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESNNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl4N3O3S/c15-8-1-3-11(17)13(5-8)21(7-14(22)20-19)25(23,24)9-2-4-10(16)12(18)6-9/h1-6H,7,19H2,(H,20,22)
InChIKeyYNMCKWDZPRAQMF-UHFFFAOYSA-N
MW443.14 g/mol
LogP3.49
Rot. Bonds5

About 3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (PubChem CID 50892625) has the molecular formula C14H11Cl4N3O3S and a molecular weight of 443.14 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
PubChem CID50892625
Molecular FormulaC14H11Cl4N3O3S
Molecular Weight443.14 g/mol
Exact Mass440.93
IUPAC Name3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESNNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl4N3O3S/c15-8-1-3-11(17)13(5-8)21(7-14(22)20-19)25(23,24)9-2-4-10(16)12(18)6-9/h1-6H,7,19H2,(H,20,22)
InChIKeyYNMCKWDZPRAQMF-UHFFFAOYSA-N
XLogP3.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.14
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(3,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892942
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50895453
N-(2-chloro-5-nitrophenyl)-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50894131
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate
CID 8705400
4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150
N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889666
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892466
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
CID 2221414
2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 23519212
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 50889602

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (CID 50892625) is 3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is NNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The InChIKey is YNMCKWDZPRAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl4N3O3S/c15-8-1-3-11(17)13(5-8)21(7-14(22)20-19)25(23,24)9-2-4-10(16)12(18)6-9/h1-6H,7,19H2,(H,20,22).
What are the key properties of 3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide has a molecular weight of 443.14 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 50892625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).