5-chloro-2-methoxybenzenesulfonyl fluoride

C7H6ClFO3S — CID 57430789

IUPAC5-chloro-2-methoxybenzenesulfonyl fluoride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)F
InChIInChI=1S/C7H6ClFO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3
InChIKeyDCTOGTYNLRSWAE-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.01
Rot. Bonds2

About 5-chloro-2-methoxybenzenesulfonyl fluoride

5-chloro-2-methoxybenzenesulfonyl fluoride (PubChem CID 57430789) has the molecular formula C7H6ClFO3S and a molecular weight of 224.64 g/mol. Its IUPAC name is 5-chloro-2-methoxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name5-chloro-2-methoxybenzenesulfonyl fluoride
PubChem CID57430789
Molecular FormulaC7H6ClFO3S
Molecular Weight224.64 g/mol
Exact Mass223.97
IUPAC Name5-chloro-2-methoxybenzenesulfonyl fluoride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)F
InChIInChI=1S/C7H6ClFO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3
InChIKeyDCTOGTYNLRSWAE-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-2-methoxybenzene-1-sulfonyl chloride
CID 15725376
2-Chloro-5-methoxybenzene-1-sulfonamide
CID 314042
5-Fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 2783409
5-Chloro-2-methoxybenzene-1-sulfonyl chloride
CID 2734272
2-Methoxybenzenesulfonyl Chloride
CID 3745851
Benzenesulfonylfluoride, 5-chloro-2-hydroxy-
CID 303527
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
3,5-Dichloro-2-methoxybenzene-1-sulfonyl chloride
CID 11076670
5-Chloro-2-methoxybenzene-1-thiol
CID 12772785
5-Chloro-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 13322054
3-Chloro-4-methoxybenzene-1-sulfonyl chloride
CID 16767427
4-Chloro-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 17978366

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxybenzenesulfonyl fluoride?
The IUPAC name of 5-chloro-2-methoxybenzenesulfonyl fluoride (CID 57430789) is 5-chloro-2-methoxybenzenesulfonyl fluoride.
What is the SMILES notation for 5-chloro-2-methoxybenzenesulfonyl fluoride?
The canonical SMILES for 5-chloro-2-methoxybenzenesulfonyl fluoride is COc1ccc(Cl)cc1S(=O)(=O)F.
What is the InChIKey of 5-chloro-2-methoxybenzenesulfonyl fluoride?
The InChIKey is DCTOGTYNLRSWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3.
What are the key properties of 5-chloro-2-methoxybenzenesulfonyl fluoride?
5-chloro-2-methoxybenzenesulfonyl fluoride has a molecular weight of 224.64 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxybenzenesulfonyl fluoride is sourced from PubChem (CID 57430789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).