5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide

C11H15BrClNO2S — CID 166594989

IUPAC5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(Br)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H15BrClNO2S/c1-7-5-9(13)8(12)6-10(7)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3
InChIKeyJHPSJBQJIZGLEH-UHFFFAOYSA-N
MW340.67 g/mol
LogP3.49
Rot. Bonds2

About 5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide

5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide (PubChem CID 166594989) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide
PubChem CID166594989
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC Name5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(Br)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C11H15BrClNO2S/c1-7-5-9(13)8(12)6-10(7)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3
InChIKeyJHPSJBQJIZGLEH-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide (CID 166594989) is 5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide is Cc1cc(Cl)c(Br)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide?
The InChIKey is JHPSJBQJIZGLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c1-7-5-9(13)8(12)6-10(7)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3.
What are the key properties of 5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide?
5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide has a molecular weight of 340.67 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-4-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 166594989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).