2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide

C14H13Cl2N3O3S — CID 50889602

IUPAC2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
SMILESNNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O3S/c15-10-6-7-12(16)13(8-10)23(21,22)19(9-14(20)18-17)11-4-2-1-3-5-11/h1-8H,9,17H2,(H,18,20)
InChIKeyWSKNLZNTWLYKAR-UHFFFAOYSA-N
MW374.25 g/mol
LogP2.18
Rot. Bonds5

About 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide

2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide (PubChem CID 50889602) has the molecular formula C14H13Cl2N3O3S and a molecular weight of 374.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
PubChem CID50889602
Molecular FormulaC14H13Cl2N3O3S
Molecular Weight374.25 g/mol
Exact Mass373.01
IUPAC Name2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
SMILESNNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3O3S/c15-10-6-7-12(16)13(8-10)23(21,22)19(9-14(20)18-17)11-4-2-1-3-5-11/h1-8H,9,17H2,(H,18,20)
InChIKeyWSKNLZNTWLYKAR-UHFFFAOYSA-N
XLogP2.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 52.18
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

2-(N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50889600
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(4-propoxyphenyl)benzenesulfonamide
CID 50894459
2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
CID 50890453
2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 50889999
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 126320810
5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894659
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
CID 1486714
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
3,4-dichloro-N-(3,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892942
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 50893773
3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892625

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide (CID 50889602) is 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide is NNC(=O)CN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide?
The InChIKey is WSKNLZNTWLYKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3S/c15-10-6-7-12(16)13(8-10)23(21,22)19(9-14(20)18-17)11-4-2-1-3-5-11/h1-8H,9,17H2,(H,18,20).
What are the key properties of 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide?
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide has a molecular weight of 374.25 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 50889602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).