3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide

C10H14BrClN2O2S — CID 55152525

IUPAC3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C10H14BrClN2O2S/c1-6(2)14(3)17(15,16)9-5-7(12)4-8(13)10(9)11/h4-6H,13H2,1-3H3
InChIKeyGTKKJARSIFRXAW-UHFFFAOYSA-N
MW341.66 g/mol
LogP2.71
Rot. Bonds3

About 3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide

3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 55152525) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID55152525
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC Name3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C10H14BrClN2O2S/c1-6(2)14(3)17(15,16)9-5-7(12)4-8(13)10(9)11/h4-6H,13H2,1-3H3
InChIKeyGTKKJARSIFRXAW-UHFFFAOYSA-N
XLogP2.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 55152525) is 3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is GTKKJARSIFRXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S/c1-6(2)14(3)17(15,16)9-5-7(12)4-8(13)10(9)11/h4-6H,13H2,1-3H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide?
3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 341.66 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55152525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).