3-bromo-2-chlorobenzenesulfonamide

C6H5BrClNO2S — CID 68678803

IUPAC3-bromo-2-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C6H5BrClNO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyBRRMHBQHBVWTGW-UHFFFAOYSA-N
MW270.53 g/mol
LogP1.75
Rot. Bonds1

About 3-bromo-2-chlorobenzenesulfonamide

3-bromo-2-chlorobenzenesulfonamide (PubChem CID 68678803) has the molecular formula C6H5BrClNO2S and a molecular weight of 270.53 g/mol. Its IUPAC name is 3-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chlorobenzenesulfonamide
PubChem CID68678803
Molecular FormulaC6H5BrClNO2S
Molecular Weight270.53 g/mol
Exact Mass268.89
IUPAC Name3-bromo-2-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C6H5BrClNO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyBRRMHBQHBVWTGW-UHFFFAOYSA-N
XLogP1.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.53
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of 3-bromo-2-chlorobenzenesulfonamide (CID 68678803) is 3-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for 3-bromo-2-chlorobenzenesulfonamide is NS(=O)(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chlorobenzenesulfonamide?
The InChIKey is BRRMHBQHBVWTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of 3-bromo-2-chlorobenzenesulfonamide?
3-bromo-2-chlorobenzenesulfonamide has a molecular weight of 270.53 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 68678803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).