3-[hydroxy(oxido)amino]benzenesulfonyl chloride

C₆H₅ClNO₄S- — CID 155625333

About 3-[hydroxy(oxido)amino]benzenesulfonyl chloride

3-[hydroxy(oxido)amino]benzenesulfonyl chloride (PubChem CID 155625333) has the molecular formula C₆H₅ClNO₄S- and a molecular weight of 222.63 g/mol. Its IUPAC name is 3-[hydroxy(oxido)amino]benzenesulfonyl chloride.

Molecular Properties

• Compound Name: 3-[hydroxy(oxido)amino]benzenesulfonyl chloride
• PubChem CID: 155625333
• Molecular Formula: C₆H₅ClNO₄S-
• Molecular Weight: 222.63 g/mol
• Exact Mass: 221.96
• IUPAC Name: 3-[hydroxy(oxido)amino]benzenesulfonyl chloride
• SMILES: O=S(=O)(Cl)c1cccc(N([O-])O)c1
• InChI: InChI=1S/C6H5ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4,9H/q-1
• InChIKey: QZLMROUDKYTXAA-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 80.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.63
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(oxido)amino]benzenesulfonyl chloride?

The IUPAC name of 3-[hydroxy(oxido)amino]benzenesulfonyl chloride (CID 155625333) is 3-[hydroxy(oxido)amino]benzenesulfonyl chloride.

What is the SMILES notation for 3-[hydroxy(oxido)amino]benzenesulfonyl chloride?

The canonical SMILES for 3-[hydroxy(oxido)amino]benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(N([O-])O)c1.

What is the InChIKey of 3-[hydroxy(oxido)amino]benzenesulfonyl chloride?

The InChIKey is QZLMROUDKYTXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4,9H/q-1.

What are the key properties of 3-[hydroxy(oxido)amino]benzenesulfonyl chloride?

3-[hydroxy(oxido)amino]benzenesulfonyl chloride has a molecular weight of 222.63 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[hydroxy(oxido)amino]benzenesulfonyl chloride is sourced from PubChem (CID 155625333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155625333 — identifiers, structure, computed properties (public domain)

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