4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide

C9H12ClN3O3S — CID 574196

IUPAC4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide
SMILESNNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN3O3S/c10-7-1-3-8(4-2-7)17(15,16)12-6-5-9(14)13-11/h1-4,12H,5-6,11H2,(H,13,14)
InChIKeyKPJXIKRFVKXWGW-UHFFFAOYSA-N
MW277.73 g/mol
LogP-0.00
Rot. Bonds5

About 4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide

4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide (PubChem CID 574196) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide
PubChem CID574196
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide
SMILESNNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN3O3S/c10-7-1-3-8(4-2-7)17(15,16)12-6-5-9(14)13-11/h1-4,12H,5-6,11H2,(H,13,14)
InChIKeyKPJXIKRFVKXWGW-UHFFFAOYSA-N
XLogP-0.00
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 5-0.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide (CID 574196) is 4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide is NNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide?
The InChIKey is KPJXIKRFVKXWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c10-7-1-3-8(4-2-7)17(15,16)12-6-5-9(14)13-11/h1-4,12H,5-6,11H2,(H,13,14).
What are the key properties of 4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide?
4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide has a molecular weight of 277.73 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydrazinyl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 574196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).