3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride

C7H5ClF2O3S — CID 84703411

IUPAC3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C(F)F)c1O
InChIInChI=1S/C7H5ClF2O3S/c8-14(12,13)5-3-1-2-4(6(5)11)7(9)10/h1-3,7,11H
InChIKeyBNIZNTCXKVCRLQ-UHFFFAOYSA-N
MW242.63 g/mol
LogP2.26
Rot. Bonds2

About 3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride

3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride (PubChem CID 84703411) has the molecular formula C7H5ClF2O3S and a molecular weight of 242.63 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride
PubChem CID84703411
Molecular FormulaC7H5ClF2O3S
Molecular Weight242.63 g/mol
Exact Mass241.96
IUPAC Name3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C(F)F)c1O
InChIInChI=1S/C7H5ClF2O3S/c8-14(12,13)5-3-1-2-4(6(5)11)7(9)10/h1-3,7,11H
InChIKeyBNIZNTCXKVCRLQ-UHFFFAOYSA-N
XLogP2.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride?
The IUPAC name of 3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride (CID 84703411) is 3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(C(F)F)c1O.
What is the InChIKey of 3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride?
The InChIKey is BNIZNTCXKVCRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O3S/c8-14(12,13)5-3-1-2-4(6(5)11)7(9)10/h1-3,7,11H.
What are the key properties of 3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride?
3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride has a molecular weight of 242.63 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 84703411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).