4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide

C11H15BrClNO2S — CID 142614263

IUPAC4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CBr)c(Cl)c1
InChIInChI=1S/C11H15BrClNO2S/c1-11(2,3)14-17(15,16)9-5-4-8(7-12)10(13)6-9/h4-6,14H,7H2,1-3H3
InChIKeyJYLGYTNACAZVPY-UHFFFAOYSA-N
MW340.67 g/mol
LogP3.31
Rot. Bonds3

About 4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide

4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide (PubChem CID 142614263) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is 4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide
PubChem CID142614263
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC Name4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CBr)c(Cl)c1
InChIInChI=1S/C11H15BrClNO2S/c1-11(2,3)14-17(15,16)9-5-4-8(7-12)10(13)6-9/h4-6,14H,7H2,1-3H3
InChIKeyJYLGYTNACAZVPY-UHFFFAOYSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide (CID 142614263) is 4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(CBr)c(Cl)c1.
What is the InChIKey of 4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide?
The InChIKey is JYLGYTNACAZVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c1-11(2,3)14-17(15,16)9-5-4-8(7-12)10(13)6-9/h4-6,14H,7H2,1-3H3.
What are the key properties of 4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide?
4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide has a molecular weight of 340.67 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-tert-butyl-3-chlorobenzenesulfonamide is sourced from PubChem (CID 142614263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).