2,3-dibromo-6-cyanobenzenesulfonyl chloride

C7H2Br2ClNO2S — CID 131170016

IUPAC2,3-dibromo-6-cyanobenzenesulfonyl chloride
SMILESN#Cc1ccc(Br)c(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2Br2ClNO2S/c8-5-2-1-4(3-11)7(6(5)9)14(10,12)13/h1-2H
InChIKeyFINNAXFBLHHWAT-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.01
Rot. Bonds1

About 2,3-dibromo-6-cyanobenzenesulfonyl chloride

2,3-dibromo-6-cyanobenzenesulfonyl chloride (PubChem CID 131170016) has the molecular formula C7H2Br2ClNO2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,3-dibromo-6-cyanobenzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dibromo-6-cyanobenzenesulfonyl chloride
PubChem CID131170016
Molecular FormulaC7H2Br2ClNO2S
Molecular Weight359.43 g/mol
Exact Mass356.79
IUPAC Name2,3-dibromo-6-cyanobenzenesulfonyl chloride
SMILESN#Cc1ccc(Br)c(Br)c1S(=O)(=O)Cl
InChIInChI=1S/C7H2Br2ClNO2S/c8-5-2-1-4(3-11)7(6(5)9)14(10,12)13/h1-2H
InChIKeyFINNAXFBLHHWAT-UHFFFAOYSA-N
XLogP3.01
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-6-cyanobenzenesulfonyl chloride
CID 130785388
2-cyano-6-hydroxybenzenesulfonyl chloride
CID 55280805
6-chloro-3-cyano-2-fluorobenzenesulfonyl chloride
CID 131057721
2-(chloromethyl)-6-cyano-3-ethylbenzenesulfonyl chloride
CID 131604242
3-cyano-6-ethyl-2-iodobenzenesulfonyl chloride
CID 131599099
6-cyano-2-ethyl-3-methylbenzenesulfonyl chloride
CID 131392401
2-bromo-4-cyano-3-(trifluoromethyl)benzenesulfonyl chloride
CID 131414583
2-bromo-4-cyano-3-nitrobenzenesulfonyl chloride
CID 131623946
3-bromo-4-cyano-2-(trifluoromethyl)benzenesulfonyl chloride
CID 131414611
3-cyano-6-methyl-2-sulfanylbenzenesulfonyl chloride
CID 130778134
2-bromo-4-cyano-6-iodobenzenesulfonyl chloride
CID 130663376
6-(aminomethyl)-3-cyano-2-ethylbenzenesulfonyl chloride
CID 131291139

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-6-cyanobenzenesulfonyl chloride?
The IUPAC name of 2,3-dibromo-6-cyanobenzenesulfonyl chloride (CID 131170016) is 2,3-dibromo-6-cyanobenzenesulfonyl chloride.
What is the SMILES notation for 2,3-dibromo-6-cyanobenzenesulfonyl chloride?
The canonical SMILES for 2,3-dibromo-6-cyanobenzenesulfonyl chloride is N#Cc1ccc(Br)c(Br)c1S(=O)(=O)Cl.
What is the InChIKey of 2,3-dibromo-6-cyanobenzenesulfonyl chloride?
The InChIKey is FINNAXFBLHHWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2ClNO2S/c8-5-2-1-4(3-11)7(6(5)9)14(10,12)13/h1-2H.
What are the key properties of 2,3-dibromo-6-cyanobenzenesulfonyl chloride?
2,3-dibromo-6-cyanobenzenesulfonyl chloride has a molecular weight of 359.43 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-6-cyanobenzenesulfonyl chloride is sourced from PubChem (CID 131170016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).