2-bromo-N-(4-chlorophenyl)sulfonylbutanamide

C10H11BrClNO3S — CID 3369104

IUPAC2-bromo-N-(4-chlorophenyl)sulfonylbutanamide
SMILESCCC(Br)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11BrClNO3S/c1-2-9(11)10(14)13-17(15,16)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H,13,14)
InChIKeyJSTSRHVJJDTSLL-UHFFFAOYSA-N
MW340.63 g/mol
LogP2.32
Rot. Bonds4

About 2-bromo-N-(4-chlorophenyl)sulfonylbutanamide

2-bromo-N-(4-chlorophenyl)sulfonylbutanamide (PubChem CID 3369104) has the molecular formula C10H11BrClNO3S and a molecular weight of 340.63 g/mol. Its IUPAC name is 2-bromo-N-(4-chlorophenyl)sulfonylbutanamide.

Molecular Properties

Compound Name2-bromo-N-(4-chlorophenyl)sulfonylbutanamide
PubChem CID3369104
Molecular FormulaC10H11BrClNO3S
Molecular Weight340.63 g/mol
Exact Mass338.93
IUPAC Name2-bromo-N-(4-chlorophenyl)sulfonylbutanamide
SMILESCCC(Br)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11BrClNO3S/c1-2-9(11)10(14)13-17(15,16)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H,13,14)
InChIKeyJSTSRHVJJDTSLL-UHFFFAOYSA-N
XLogP2.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.63
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chlorophenyl)sulfonylbutanamide?
The IUPAC name of 2-bromo-N-(4-chlorophenyl)sulfonylbutanamide (CID 3369104) is 2-bromo-N-(4-chlorophenyl)sulfonylbutanamide.
What is the SMILES notation for 2-bromo-N-(4-chlorophenyl)sulfonylbutanamide?
The canonical SMILES for 2-bromo-N-(4-chlorophenyl)sulfonylbutanamide is CCC(Br)C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-N-(4-chlorophenyl)sulfonylbutanamide?
The InChIKey is JSTSRHVJJDTSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO3S/c1-2-9(11)10(14)13-17(15,16)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(4-chlorophenyl)sulfonylbutanamide?
2-bromo-N-(4-chlorophenyl)sulfonylbutanamide has a molecular weight of 340.63 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chlorophenyl)sulfonylbutanamide is sourced from PubChem (CID 3369104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).