2-hydroxy-3-nitrobenzenesulfonyl chloride

C6H4ClNO5S — CID 55280798

IUPAC2-hydroxy-3-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C6H4ClNO5S/c7-14(12,13)5-3-1-2-4(6(5)9)8(10)11/h1-3,9H
InChIKeyVMNOFWGURCDFHO-UHFFFAOYSA-N
MW237.62 g/mol
LogP1.23
Rot. Bonds2

About 2-hydroxy-3-nitrobenzenesulfonyl chloride

2-hydroxy-3-nitrobenzenesulfonyl chloride (PubChem CID 55280798) has the molecular formula C6H4ClNO5S and a molecular weight of 237.62 g/mol. Its IUPAC name is 2-hydroxy-3-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-hydroxy-3-nitrobenzenesulfonyl chloride
PubChem CID55280798
Molecular FormulaC6H4ClNO5S
Molecular Weight237.62 g/mol
Exact Mass236.95
IUPAC Name2-hydroxy-3-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C6H4ClNO5S/c7-14(12,13)5-3-1-2-4(6(5)9)8(10)11/h1-3,9H
InChIKeyVMNOFWGURCDFHO-UHFFFAOYSA-N
XLogP1.23
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.62
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-nitrophenyl)ethyl]benzenesulfonyl chloride
CID 107334851
2-hydroxy-3-sulfanylbenzenesulfonyl chloride
CID 141345068
lithium 2-chloro-3-nitrobenzenesulfonate
CID 101305328
1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
N-methyl-2-nitro-N-propan-2-ylbenzenesulfonamide;2-nitrobenzenesulfonyl chloride
CID 161416921
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
3-bromo-2-nitrobenzenesulfonyl chloride
CID 99771083
2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
(2-hydroxy-3-nitrophenyl)boronic acid
CID 91825807
5-acetamido-8-nitronaphthalene-1-sulfonyl chloride
CID 121000680
iron(2+);bis(2-nitrobenzenesulfonate)
CID 141179187
4-hydroxy-3-nitrobenzenesulfonyl chloride
CID 3670479

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitrobenzenesulfonyl chloride?
The IUPAC name of 2-hydroxy-3-nitrobenzenesulfonyl chloride (CID 55280798) is 2-hydroxy-3-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 2-hydroxy-3-nitrobenzenesulfonyl chloride?
The canonical SMILES for 2-hydroxy-3-nitrobenzenesulfonyl chloride is O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1O.
What is the InChIKey of 2-hydroxy-3-nitrobenzenesulfonyl chloride?
The InChIKey is VMNOFWGURCDFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO5S/c7-14(12,13)5-3-1-2-4(6(5)9)8(10)11/h1-3,9H.
What are the key properties of 2-hydroxy-3-nitrobenzenesulfonyl chloride?
2-hydroxy-3-nitrobenzenesulfonyl chloride has a molecular weight of 237.62 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 55280798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).