3-[hydroxy(oxido)amino]benzenesulfonyl chloride

C6H5ClNO4S- — CID 155625333

IUPAC3-[hydroxy(oxido)amino]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(N([O-])O)c1
InChIInChI=1S/C6H5ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4,9H/q-1
InChIKeyQZLMROUDKYTXAA-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.31
Rot. Bonds2

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 Name3-[hydroxy(oxido)amino]benzenesulfonyl chloride
PubChem CID155625333
Molecular FormulaC6H5ClNO4S-
Molecular Weight222.63 g/mol
Exact Mass221.96
IUPAC Name3-[hydroxy(oxido)amino]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(N([O-])O)c1
InChIInChI=1S/C6H5ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4,9H/q-1
InChIKeyQZLMROUDKYTXAA-UHFFFAOYSA-N
XLogP1.31
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).