2-chloro-4,5-difluorobenzenesulfonyl chloride

C6H2Cl2F2O2S — CID 2773523

IUPAC2-chloro-4,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C6H2Cl2F2O2S/c7-3-1-4(9)5(10)2-6(3)13(8,11)12/h1-2H
InChIKeyNITODZKOCXPBBS-UHFFFAOYSA-N
MW247.05 g/mol
LogP2.55
Rot. Bonds1

About 2-chloro-4,5-difluorobenzenesulfonyl chloride

2-chloro-4,5-difluorobenzenesulfonyl chloride (PubChem CID 2773523) has the molecular formula C6H2Cl2F2O2S and a molecular weight of 247.05 g/mol. Its IUPAC name is 2-chloro-4,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4,5-difluorobenzenesulfonyl chloride
PubChem CID2773523
Molecular FormulaC6H2Cl2F2O2S
Molecular Weight247.05 g/mol
Exact Mass245.91
IUPAC Name2-chloro-4,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C6H2Cl2F2O2S/c7-3-1-4(9)5(10)2-6(3)13(8,11)12/h1-2H
InChIKeyNITODZKOCXPBBS-UHFFFAOYSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Chlorobenzenesulfonyl chloride
CID 7398
2,5-Dichlorobenzenesulfonyl chloride
CID 79401
2-Chlorobenzenesulfonyl chloride
CID 76187
2,6-Dichlorobenzenesulfonylchloride
CID 522183
Benzenesulfonyl chloride, 2,4-dichloro-
CID 204419
3-Chlorobenzenesulphonyl chloride
CID 17909
3-Chloro-4-fluorobenzenesulphonyl chloride
CID 145222
2,4,6-Trichlorobenzenesulfonyl chloride
CID 521335
3,5-Dichlorobenzenesulfonyl chloride
CID 522388
4-Chloro-2-fluorobenzene-1-sulfonyl chloride
CID 2778860
4-Chloro-3-fluorobenzene-1-sulfonyl chloride
CID 43566192
5-Chloro-2,4-difluorobenzenesulphonyl chloride
CID 2773527

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 2-chloro-4,5-difluorobenzenesulfonyl chloride (CID 2773523) is 2-chloro-4,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4,5-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluorobenzenesulfonyl chloride?
The InChIKey is NITODZKOCXPBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2O2S/c7-3-1-4(9)5(10)2-6(3)13(8,11)12/h1-2H.
What are the key properties of 2-chloro-4,5-difluorobenzenesulfonyl chloride?
2-chloro-4,5-difluorobenzenesulfonyl chloride has a molecular weight of 247.05 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 2773523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).