2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride

C7H2BrCl2NO2S — CID 131012847

IUPAC2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride
SMILESN#Cc1cc(S(=O)(=O)Cl)c(Br)cc1Cl
InChIInChI=1S/C7H2BrCl2NO2S/c8-5-2-6(9)4(3-11)1-7(5)14(10,12)13/h1-2H
InChIKeyMWEGWLXUIAMQAB-UHFFFAOYSA-N
MW314.98 g/mol
LogP2.90
Rot. Bonds1

About 2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride

2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride (PubChem CID 131012847) has the molecular formula C7H2BrCl2NO2S and a molecular weight of 314.98 g/mol. Its IUPAC name is 2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride
PubChem CID131012847
Molecular FormulaC7H2BrCl2NO2S
Molecular Weight314.98 g/mol
Exact Mass312.84
IUPAC Name2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride
SMILESN#Cc1cc(S(=O)(=O)Cl)c(Br)cc1Cl
InChIInChI=1S/C7H2BrCl2NO2S/c8-5-2-6(9)4(3-11)1-7(5)14(10,12)13/h1-2H
InChIKeyMWEGWLXUIAMQAB-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

2-Bromo-4-chloro-5-methylbenzenesulfonamide
CID 50876940
4-Bromo-2-chloro-3-cyanobenzenesulfonyl chloride
CID 91800298
4-Bromo-2-chloro-5-cyanobenzenesulfonyl chloride
CID 118850267
2-Bromo-4-chloro-5-methylbenzenesulfonyl chloride
CID 130670074
2-Bromo-4-chloro-6-cyanobenzenesulfonyl chloride
CID 130777780
2-Bromo-6-chloro-3-cyanobenzenesulfonyl chloride
CID 130820712
2-Bromo-4-chloro-3-cyanobenzenesulfonyl chloride
CID 130864792
2-Bromo-3-chloro-5-cyanobenzenesulfonyl chloride
CID 130971392
5-Bromo-3-chloro-2-cyanobenzenesulfonyl chloride
CID 130971393
5-Bromo-4-chloro-2-cyanobenzenesulfonyl chloride
CID 131030254
2-Bromo-5-chloro-4-cyanobenzenesulfonyl chloride
CID 131118684
6-Bromo-2-chloro-3-cyanobenzenesulfonyl chloride
CID 131143787

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride (CID 131012847) is 2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride is N#Cc1cc(S(=O)(=O)Cl)c(Br)cc1Cl.
What is the InChIKey of 2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride?
The InChIKey is MWEGWLXUIAMQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2NO2S/c8-5-2-6(9)4(3-11)1-7(5)14(10,12)13/h1-2H.
What are the key properties of 2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride?
2-bromo-4-chloro-5-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 2-bromo-4-chloro-5-cyanobenzenesulfonyl chloride is sourced from PubChem (CID 131012847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).