4,5-difluoro-2-methoxybenzenesulfonyl chloride

C7H5ClF2O3S — CID 55279481

IUPAC4,5-difluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(F)c(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF2O3S/c1-13-6-2-4(9)5(10)3-7(6)14(8,11)12/h2-3H,1H3
InChIKeyMARRIMPKLITFCM-UHFFFAOYSA-N
MW242.63 g/mol
LogP1.90
Rot. Bonds2

About 4,5-difluoro-2-methoxybenzenesulfonyl chloride

4,5-difluoro-2-methoxybenzenesulfonyl chloride (PubChem CID 55279481) has the molecular formula C7H5ClF2O3S and a molecular weight of 242.63 g/mol. Its IUPAC name is 4,5-difluoro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4,5-difluoro-2-methoxybenzenesulfonyl chloride
PubChem CID55279481
Molecular FormulaC7H5ClF2O3S
Molecular Weight242.63 g/mol
Exact Mass241.96
IUPAC Name4,5-difluoro-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(F)c(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5ClF2O3S/c1-13-6-2-4(9)5(10)3-7(6)14(8,11)12/h2-3H,1H3
InChIKeyMARRIMPKLITFCM-UHFFFAOYSA-N
XLogP1.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxybenzenesulfonyl chloride
CID 7401
2-(Trifluoromethoxy)benzenesulfonamide
CID 2777208
2,5-Dimethoxybenzenesulfonyl chloride
CID 137025
Benzenesulfonyl fluoride, 3-(chlorosulfonyl)-4-methoxy-
CID 113469
2-(Difluoromethoxy)benzene-1-sulfonamide
CID 13322075
5-Fluoro-2-methoxybenzene-1-sulfonyl chloride
CID 2783409
p-(Trifluoromethoxy)benzenesulphonyl chloride
CID 523102
3-Methoxybenzenesulfonyl chloride
CID 2737504
2-Methoxybenzenesulfonyl Chloride
CID 3745851
2-Methoxybenzene-1-sulfonamide
CID 4739144
4-Methoxybenzenesulfinate
CID 3952261
4-((Heptadecafluorononenyl)oxy)benzenesulphonyl chloride
CID 3017142

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 4,5-difluoro-2-methoxybenzenesulfonyl chloride (CID 55279481) is 4,5-difluoro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4,5-difluoro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4,5-difluoro-2-methoxybenzenesulfonyl chloride is COc1cc(F)c(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 4,5-difluoro-2-methoxybenzenesulfonyl chloride?
The InChIKey is MARRIMPKLITFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O3S/c1-13-6-2-4(9)5(10)3-7(6)14(8,11)12/h2-3H,1H3.
What are the key properties of 4,5-difluoro-2-methoxybenzenesulfonyl chloride?
4,5-difluoro-2-methoxybenzenesulfonyl chloride has a molecular weight of 242.63 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 55279481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).