2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride

C8H8ClFO4S — CID 165477328

IUPAC2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride
SMILESCOc1cc(S(=O)(=O)F)c(Cl)cc1CO
InChIInChI=1S/C8H8ClFO4S/c1-14-7-3-8(15(10,12)13)6(9)2-5(7)4-11/h2-3,11H,4H2,1H3
InChIKeySJHUWSOTRSYBHE-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.50
Rot. Bonds3

About 2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride

2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride (PubChem CID 165477328) has the molecular formula C8H8ClFO4S and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride
PubChem CID165477328
Molecular FormulaC8H8ClFO4S
Molecular Weight254.67 g/mol
Exact Mass253.98
IUPAC Name2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride
SMILESCOc1cc(S(=O)(=O)F)c(Cl)cc1CO
InChIInChI=1S/C8H8ClFO4S/c1-14-7-3-8(15(10,12)13)6(9)2-5(7)4-11/h2-3,11H,4H2,1H3
InChIKeySJHUWSOTRSYBHE-UHFFFAOYSA-N
XLogP1.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Chloro-4-methoxy-5-methyl-2-methylsulfonylbenzene
CID 126676481
Methyl 5-chloro-3-(hydroxymethyl)-2-methoxybenzenesulfinate
CID 138718375
5-Chloro-3-(hydroxymethyl)-2-methoxybenzenesulfinic acid
CID 138718900
1-Chloro-4-methoxy-5-methyl-2-methylsulfonylbenzene;ethane
CID 145267617
4-Chloro-2-(hydroxymethyl)phenyl 4-methylbenzenesulfonate
CID 1750726
[5-Chloro-2-(2-ethylsulfonylethoxy)phenyl]methanol
CID 43807937
4-Chloro-5-(chlorosulfonyl)-2-methylphenyl ethyl carbonate
CID 46856392
[5-Chloro-2-(2-methylsulfonylethoxy)phenyl]methanol
CID 60915682
[5-Chloro-2-(3-methylsulfonylpropoxy)phenyl]methanol
CID 63191379
5-Chloro-3-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 65742838
2-(5-Chloro-2-methoxyphenyl)-2-hydroxyethanesulfonic acid
CID 84202030
2-Chloro-5-methoxy-4-methylbenzenesulfonyl chloride
CID 84708499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride?
The IUPAC name of 2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride (CID 165477328) is 2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride.
What is the SMILES notation for 2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride?
The canonical SMILES for 2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride is COc1cc(S(=O)(=O)F)c(Cl)cc1CO.
What is the InChIKey of 2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride?
The InChIKey is SJHUWSOTRSYBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO4S/c1-14-7-3-8(15(10,12)13)6(9)2-5(7)4-11/h2-3,11H,4H2,1H3.
What are the key properties of 2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride?
2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride has a molecular weight of 254.67 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(hydroxymethyl)-5-methoxybenzenesulfonyl fluoride is sourced from PubChem (CID 165477328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).