3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride

C9H10ClFO3S — CID 84707703

IUPAC3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride
SMILESCC(C)(F)c1cccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C9H10ClFO3S/c1-9(2,11)6-4-3-5-7(8(6)12)15(10,13)14/h3-5,12H,1-2H3
InChIKeySJJSSESHZVNDKD-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.52
Rot. Bonds2

About 3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride

3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride (PubChem CID 84707703) has the molecular formula C9H10ClFO3S and a molecular weight of 252.69 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride
PubChem CID84707703
Molecular FormulaC9H10ClFO3S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride
SMILESCC(C)(F)c1cccc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C9H10ClFO3S/c1-9(2,11)6-4-3-5-7(8(6)12)15(10,13)14/h3-5,12H,1-2H3
InChIKeySJJSSESHZVNDKD-UHFFFAOYSA-N
XLogP2.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride (CID 84707703) is 3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride is CC(C)(F)c1cccc(S(=O)(=O)Cl)c1O.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride?
The InChIKey is SJJSSESHZVNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3S/c1-9(2,11)6-4-3-5-7(8(6)12)15(10,13)14/h3-5,12H,1-2H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride?
3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride has a molecular weight of 252.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 84707703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).