6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride

C7H2BrCl2NO2S — CID 131138023

IUPAC6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride
SMILESN#Cc1c(Cl)ccc(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2BrCl2NO2S/c8-5-1-2-6(9)4(3-11)7(5)14(10,12)13/h1-2H
InChIKeyZHTQCCVEJBQHNG-UHFFFAOYSA-N
MW314.98 g/mol
LogP2.90
Rot. Bonds1

About 6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride

6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride (PubChem CID 131138023) has the molecular formula C7H2BrCl2NO2S and a molecular weight of 314.98 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride.

Molecular Properties

Compound Name6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride
PubChem CID131138023
Molecular FormulaC7H2BrCl2NO2S
Molecular Weight314.98 g/mol
Exact Mass312.84
IUPAC Name6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride
SMILESN#Cc1c(Cl)ccc(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2BrCl2NO2S/c8-5-1-2-6(9)4(3-11)7(5)14(10,12)13/h1-2H
InChIKeyZHTQCCVEJBQHNG-UHFFFAOYSA-N
XLogP2.90
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.98
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-2-chloro-4-sulfanylbenzonitrile
CID 163969287
2-Bromo-4-chloro-6-cyanobenzenesulfonyl chloride
CID 130777780
2-Bromo-5-chloro-3-cyanobenzene-1-sulfonyl chloride
CID 130777781
4-Bromo-3-chloro-2-cyanobenzenesulfonyl chloride
CID 130836940
2-Bromo-3-chloro-6-cyanobenzene-1-sulfonyl chloride
CID 130839428
3-Bromo-6-chloro-2-cyanobenzenesulfonyl chloride
CID 130952264
5-Bromo-3-chloro-2-cyanobenzenesulfonyl chloride
CID 130971393
2-Bromo-3-chloro-4-cyanobenzenesulfonyl chloride
CID 131050703
5-Bromo-2-chloro-3-cyanobenzenesulfonyl chloride
CID 131050911
4-Bromo-5-chloro-2-cyanobenzenesulfonyl chloride
CID 131076854
2-Bromo-5-chloro-4-cyanobenzenesulfonyl chloride
CID 131118684
6-Bromo-3-chloro-2-methylbenzenesulfonamide
CID 131415089

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride?
The IUPAC name of 6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride (CID 131138023) is 6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride.
What is the SMILES notation for 6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride?
The canonical SMILES for 6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride is N#Cc1c(Cl)ccc(Br)c1S(=O)(=O)Cl.
What is the InChIKey of 6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride?
The InChIKey is ZHTQCCVEJBQHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2NO2S/c8-5-1-2-6(9)4(3-11)7(5)14(10,12)13/h1-2H.
What are the key properties of 6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride?
6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride has a molecular weight of 314.98 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2-cyanobenzenesulfonyl chloride is sourced from PubChem (CID 131138023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).