3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride

C7H5Cl2FO3S — CID 84709640

IUPAC3-chloro-6-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOC1=C(C=CC(=C1S(=O)(=O)Cl)F)Cl
InChIInChI=1S/C7H5Cl2FO3S/c1-13-6-4(8)2-3-5(10)7(6)14(9,11)12/h2-3H,1H3
InChIKeyDNEWUUXBANZJHX-UHFFFAOYSA-N
MW259.08 g/mol
LogP2.60
Rot. Bonds2

About 3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride

3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride (PubChem CID 84709640) has the molecular formula C7H5Cl2FO3S and a molecular weight of 259.08 g/mol. Its IUPAC name is 3-chloro-6-fluoro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride
PubChem CID84709640
Molecular FormulaC7H5Cl2FO3S
Molecular Weight259.08 g/mol
Exact Mass257.93
IUPAC Name3-chloro-6-fluoro-2-methoxybenzenesulfonyl chloride
SMILESCOC1=C(C=CC(=C1S(=O)(=O)Cl)F)Cl
InChIInChI=1S/C7H5Cl2FO3S/c1-13-6-4(8)2-3-5(10)7(6)14(9,11)12/h2-3H,1H3
InChIKeyDNEWUUXBANZJHX-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity290

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-methoxybenzene-1-sulfonyl chloride
CID 2734272
2,5-Dichloro-4-methoxybenzene-1-sulfonyl chloride
CID 43134433
3-chloro-4-(trifluoromethoxy)benzenesulfonyl Chloride
CID 2782768
3,5-Dichloro-2-methoxybenzene-1-sulfonyl chloride
CID 11076670
5-Chloro-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 13322054
3-Chloro-4-methoxybenzene-1-sulfonyl chloride
CID 16767427
3-Chloro-2,6-dimethoxybenzenesulfonyl chloride
CID 18981621
3-Chloro-2-methoxybenzene-1-sulfonyl chloride
CID 22015367
4-Chloro-3-methoxybenzene-1-sulfonyl chloride
CID 50876025
5-Chloro-2-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 51064979
2-Chloro-3-methoxybenzene-1-sulfonyl chloride
CID 55280680
2-Chloro-6-methoxybenzenesulfonyl chloride
CID 55280681

Frequently Asked Questions

What is the IUPAC name of 3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride (CID 84709640) is 3-chloro-6-fluoro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride is COC1=C(C=CC(=C1S(=O)(=O)Cl)F)Cl.
What is the InChIKey of 3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride?
The InChIKey is DNEWUUXBANZJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FO3S/c1-13-6-4(8)2-3-5(10)7(6)14(9,11)12/h2-3H,1H3.
What are the key properties of 3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride?
3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride has a molecular weight of 259.08 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Chloro-6-fluoro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 84709640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).