(5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride

C7H4Cl2F2O3S — CID 117443499

IUPAC(5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Cl)c(O)c(F)c1F
InChIInChI=1S/C7H4Cl2F2O3S/c8-4-1-3(2-15(9,13)14)5(10)6(11)7(4)12/h1,12H,2H2
InChIKeyXQTBBTFUPZKWBX-UHFFFAOYSA-N
MW277.08 g/mol
LogP2.39
Rot. Bonds2

About (5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride

(5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride (PubChem CID 117443499) has the molecular formula C7H4Cl2F2O3S and a molecular weight of 277.08 g/mol. Its IUPAC name is (5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride
PubChem CID117443499
Molecular FormulaC7H4Cl2F2O3S
Molecular Weight277.08 g/mol
Exact Mass275.92
IUPAC Name(5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Cl)c(O)c(F)c1F
InChIInChI=1S/C7H4Cl2F2O3S/c8-4-1-3(2-15(9,13)14)5(10)6(11)7(4)12/h1,12H,2H2
InChIKeyXQTBBTFUPZKWBX-UHFFFAOYSA-N
XLogP2.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride?
The IUPAC name of (5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride (CID 117443499) is (5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(Cl)c(O)c(F)c1F.
What is the InChIKey of (5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride?
The InChIKey is XQTBBTFUPZKWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O3S/c8-4-1-3(2-15(9,13)14)5(10)6(11)7(4)12/h1,12H,2H2.
What are the key properties of (5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride?
(5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride has a molecular weight of 277.08 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-difluoro-4-hydroxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 117443499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).