5-(4-bromobutyl)thiophene-3-sulfonamide

C8H12BrNO2S2 — CID 164925968

IUPAC5-(4-bromobutyl)thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(CCCCBr)c1
InChIInChI=1S/C8H12BrNO2S2/c9-4-2-1-3-7-5-8(6-13-7)14(10,11)12/h5-6H,1-4H2,(H2,10,11,12)
InChIKeyMTZUVCQXVAITBR-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.11
Rot. Bonds5

About 5-(4-bromobutyl)thiophene-3-sulfonamide

5-(4-bromobutyl)thiophene-3-sulfonamide (PubChem CID 164925968) has the molecular formula C8H12BrNO2S2 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-(4-bromobutyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(4-bromobutyl)thiophene-3-sulfonamide
PubChem CID164925968
Molecular FormulaC8H12BrNO2S2
Molecular Weight298.23 g/mol
Exact Mass296.95
IUPAC Name5-(4-bromobutyl)thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(CCCCBr)c1
InChIInChI=1S/C8H12BrNO2S2/c9-4-2-1-3-7-5-8(6-13-7)14(10,11)12/h5-6H,1-4H2,(H2,10,11,12)
InChIKeyMTZUVCQXVAITBR-UHFFFAOYSA-N
XLogP2.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-bromobutyl)thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromobutyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(4-bromobutyl)thiophene-3-sulfonamide (CID 164925968) is 5-(4-bromobutyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(4-bromobutyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(4-bromobutyl)thiophene-3-sulfonamide is NS(=O)(=O)c1csc(CCCCBr)c1.
What is the InChIKey of 5-(4-bromobutyl)thiophene-3-sulfonamide?
The InChIKey is MTZUVCQXVAITBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2S2/c9-4-2-1-3-7-5-8(6-13-7)14(10,11)12/h5-6H,1-4H2,(H2,10,11,12).
What are the key properties of 5-(4-bromobutyl)thiophene-3-sulfonamide?
5-(4-bromobutyl)thiophene-3-sulfonamide has a molecular weight of 298.23 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromobutyl)thiophene-3-sulfonamide is sourced from PubChem (CID 164925968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).