2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide

C14H16BrFN2O2S2 — CID 55871017

IUPAC2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(F)cc1Br)c1cccs1
InChIInChI=1S/C14H16BrFN2O2S2/c1-18(2)12(13-4-3-7-21-13)9-17-22(19,20)14-6-5-10(16)8-11(14)15/h3-8,12,17H,9H2,1-2H3
InChIKeyKOCBIUBWIFEHQK-UHFFFAOYSA-N
MW407.33 g/mol
LogP3.23
Rot. Bonds6

About 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide

2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide (PubChem CID 55871017) has the molecular formula C14H16BrFN2O2S2 and a molecular weight of 407.33 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
PubChem CID55871017
Molecular FormulaC14H16BrFN2O2S2
Molecular Weight407.33 g/mol
Exact Mass405.98
IUPAC Name2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(F)cc1Br)c1cccs1
InChIInChI=1S/C14H16BrFN2O2S2/c1-18(2)12(13-4-3-7-21-13)9-17-22(19,20)14-6-5-10(16)8-11(14)15/h3-8,12,17H,9H2,1-2H3
InChIKeyKOCBIUBWIFEHQK-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide 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 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide (CID 55871017) is 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide is CN(C)C(CNS(=O)(=O)c1ccc(F)cc1Br)c1cccs1.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
The InChIKey is KOCBIUBWIFEHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2S2/c1-18(2)12(13-4-3-7-21-13)9-17-22(19,20)14-6-5-10(16)8-11(14)15/h3-8,12,17H,9H2,1-2H3.
What are the key properties of 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide?
2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide has a molecular weight of 407.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 55871017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).