4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride

C13H10ClFO3S — CID 82308389

IUPAC4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride
SMILESCOc1cccc(-c2cc(S(=O)(=O)Cl)ccc2F)c1
InChIInChI=1S/C13H10ClFO3S/c1-18-10-4-2-3-9(7-10)12-8-11(19(14,16)17)5-6-13(12)15/h2-8H,1H3
InChIKeyIBCNKJQRRYGCGD-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.43
Rot. Bonds3

About 4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride

4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride (PubChem CID 82308389) has the molecular formula C13H10ClFO3S and a molecular weight of 300.74 g/mol. Its IUPAC name is 4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride
PubChem CID82308389
Molecular FormulaC13H10ClFO3S
Molecular Weight300.74 g/mol
Exact Mass300.00
IUPAC Name4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride
SMILESCOc1cccc(-c2cc(S(=O)(=O)Cl)ccc2F)c1
InChIInChI=1S/C13H10ClFO3S/c1-18-10-4-2-3-9(7-10)12-8-11(19(14,16)17)5-6-13(12)15/h2-8H,1H3
InChIKeyIBCNKJQRRYGCGD-UHFFFAOYSA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-4-methoxy-2-(3-methylsulfanylphenyl)benzene
CID 166922927
3-(4-methoxyphenyl)benzenesulfonyl chloride
CID 4988737
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
3-fluoro-4-(3-fluorophenyl)benzenesulfonyl chloride
CID 46312302
2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
CID 91071120
N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
CID 135075139
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
3-methoxy-4-phenylbenzenesulfonyl chloride
CID 115059705
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
1-[2-fluoro-6-(3-methoxyphenyl)phenyl]ethanone
CID 175686725
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride?
The IUPAC name of 4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride (CID 82308389) is 4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride is COc1cccc(-c2cc(S(=O)(=O)Cl)ccc2F)c1.
What is the InChIKey of 4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride?
The InChIKey is IBCNKJQRRYGCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO3S/c1-18-10-4-2-3-9(7-10)12-8-11(19(14,16)17)5-6-13(12)15/h2-8H,1H3.
What are the key properties of 4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride?
4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride has a molecular weight of 300.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 82308389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).