2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide

C9H11Cl2N3O3S — CID 4320202

IUPAC2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NN
InChIInChI=1S/C9H11Cl2N3O3S/c1-5(9(15)13-12)14-18(16,17)8-4-6(10)2-3-7(8)11/h2-5,14H,12H2,1H3,(H,13,15)
InChIKeyQOVMESCRLJUELP-UHFFFAOYSA-N
MW312.18 g/mol
LogP0.65
Rot. Bonds4

About 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide

2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide (PubChem CID 4320202) has the molecular formula C9H11Cl2N3O3S and a molecular weight of 312.18 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
PubChem CID4320202
Molecular FormulaC9H11Cl2N3O3S
Molecular Weight312.18 g/mol
Exact Mass310.99
IUPAC Name2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NN
InChIInChI=1S/C9H11Cl2N3O3S/c1-5(9(15)13-12)14-18(16,17)8-4-6(10)2-3-7(8)11/h2-5,14H,12H2,1H3,(H,13,15)
InChIKeyQOVMESCRLJUELP-UHFFFAOYSA-N
XLogP0.65
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 50.65
H-Bond Donors ≤ 53
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'}

Analyze 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 124549696
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-ethylphenyl)propanamide
CID 124550207
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 5140094
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 126392529
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 126394209
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 126393592
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)propanamide
CID 126397173
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide
CID 126396716
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 126398525
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide
CID 2969563
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
CID 113253329
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide (CID 4320202) is 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NN.
What is the InChIKey of 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide?
The InChIKey is QOVMESCRLJUELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O3S/c1-5(9(15)13-12)14-18(16,17)8-4-6(10)2-3-7(8)11/h2-5,14H,12H2,1H3,(H,13,15).
What are the key properties of 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide?
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide has a molecular weight of 312.18 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 4320202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).