3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride

C6H3ClFNO5S — CID 82915288

IUPAC3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1cc(F)c(O)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H3ClFNO5S/c7-15(13,14)5-2-3(9(11)12)1-4(8)6(5)10/h1-2,10H
InChIKeyDAVZZRGTLTUOII-UHFFFAOYSA-N
MW255.61 g/mol
LogP1.37
Rot. Bonds2

About 3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride

3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride (PubChem CID 82915288) has the molecular formula C6H3ClFNO5S and a molecular weight of 255.61 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride
PubChem CID82915288
Molecular FormulaC6H3ClFNO5S
Molecular Weight255.61 g/mol
Exact Mass254.94
IUPAC Name3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1cc(F)c(O)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H3ClFNO5S/c7-15(13,14)5-2-3(9(11)12)1-4(8)6(5)10/h1-2,10H
InChIKeyDAVZZRGTLTUOII-UHFFFAOYSA-N
XLogP1.37
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.61
LogP ≤ 51.37
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-chloro-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 172969014
3-fluoro-5-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969400
2-fluoro-6-iodo-4-nitrophenol
CID 104506154
3-fluoro-2-(3-fluoropropoxy)-5-nitrobenzenesulfonyl chloride
CID 81106047
3-cyano-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 131521565
2,3-difluoro-5-nitrobenzenesulfonamide
CID 63841468
2-(2-ethylbutoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 82927294
2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 43457157
2-[2-(ethylamino)-2-oxoethoxy]-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 82914092
3-fluoro-5-nitro-2-pent-3-ynoxybenzenesulfonyl chloride
CID 104805777
5-nitrobenzene-1,2,3-triol
CID 19910425
1-(3-fluoro-2-hydroxy-5-nitrophenyl)butan-2-one
CID 174749401

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride?
The IUPAC name of 3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride (CID 82915288) is 3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride is O=[N+]([O-])c1cc(F)c(O)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride?
The InChIKey is DAVZZRGTLTUOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFNO5S/c7-15(13,14)5-2-3(9(11)12)1-4(8)6(5)10/h1-2,10H.
What are the key properties of 3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride?
3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride has a molecular weight of 255.61 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 82915288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).