4-hydroxy-3-nitrobenzenesulfonyl chloride

C6H4ClNO5S — CID 3670479

IUPAC4-hydroxy-3-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1O
InChIInChI=1S/C6H4ClNO5S/c7-14(12,13)4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKeyFRIDVSSBTNZNJD-UHFFFAOYSA-N
MW237.62 g/mol
LogP1.23
Rot. Bonds2

About 4-hydroxy-3-nitrobenzenesulfonyl chloride

4-hydroxy-3-nitrobenzenesulfonyl chloride (PubChem CID 3670479) has the molecular formula C6H4ClNO5S and a molecular weight of 237.62 g/mol. Its IUPAC name is 4-hydroxy-3-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-hydroxy-3-nitrobenzenesulfonyl chloride
PubChem CID3670479
Molecular FormulaC6H4ClNO5S
Molecular Weight237.62 g/mol
Exact Mass236.95
IUPAC Name4-hydroxy-3-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1O
InChIInChI=1S/C6H4ClNO5S/c7-14(12,13)4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKeyFRIDVSSBTNZNJD-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

4-(chloromethylsulfonyl)-2-nitrophenol
CID 12707623
4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
CID 60700422
4-(3-amino-3-oxoprop-1-ynyl)-3-nitrobenzenesulfonyl chloride
CID 172969468
potassium;4-chloro-3-nitrobenzenesulfonate;4-chloro-3-nitrobenzenesulfonyl chloride
CID 159793173
4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-3-nitrobenzenesulfonyl chloride
CID 125453006
3-bromo-4-hydroxybenzenesulfonyl chloride
CID 79018057
azane;2,4-dinitrophenol;hydrate
CID 174664401
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
CID 43217851
4-hydroxy-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzenesulfonamide
CID 60961659
N,N-bis(cyanomethyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43328091
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-nitrophenol
CID 79181850
N-(2,6-dimethylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579190

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-nitrobenzenesulfonyl chloride?
The IUPAC name of 4-hydroxy-3-nitrobenzenesulfonyl chloride (CID 3670479) is 4-hydroxy-3-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 4-hydroxy-3-nitrobenzenesulfonyl chloride?
The canonical SMILES for 4-hydroxy-3-nitrobenzenesulfonyl chloride is O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1O.
What is the InChIKey of 4-hydroxy-3-nitrobenzenesulfonyl chloride?
The InChIKey is FRIDVSSBTNZNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO5S/c7-14(12,13)4-1-2-6(9)5(3-4)8(10)11/h1-3,9H.
What are the key properties of 4-hydroxy-3-nitrobenzenesulfonyl chloride?
4-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 4-hydroxy-3-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 3670479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).