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

C11H15BrClNO2S — CID 50876707

IUPAC2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NC(C)(C)C)cc1Cl
InChIInChI=1S/C11H15BrClNO2S/c1-7-5-8(12)10(6-9(7)13)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3
InChIKeyVMLJDOQUQZLTHQ-UHFFFAOYSA-N
MW340.67 g/mol
LogP3.49
Rot. Bonds2

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

2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide (PubChem CID 50876707) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is 2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide
PubChem CID50876707
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC Name2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NC(C)(C)C)cc1Cl
InChIInChI=1S/C11H15BrClNO2S/c1-7-5-8(12)10(6-9(7)13)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3
InChIKeyVMLJDOQUQZLTHQ-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 2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide (CID 50876707) is 2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NC(C)(C)C)cc1Cl.
What is the InChIKey of 2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide?
The InChIKey is VMLJDOQUQZLTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c1-7-5-8(12)10(6-9(7)13)17(15,16)14-11(2,3)4/h5-6,14H,1-4H3.
What are the key properties of 2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide?
2-bromo-N-tert-butyl-5-chloro-4-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 2-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 50876707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).